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Search results for: '398-99-2'
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2-methyl-5-(trifluoromethyl)-1,3-benzothiazole
Cas Number: 398-99-2Formula: C9H6F3NSMolecular weight: 217.21Synonyms: 398-99-2|2-Methyl-5-(trifluoromethyl)benzothiazole|2-Methyl-5-(trifluoromethyl)-1,3-benzothiazole|2-...SMILES: CC1=NC2=C(S1)C=CC(=C2)C(F)(F)FInChIKey: XXIOZBPOLWETSU-UHFFFAOYSA-NInChI: InChI=1S/C9H6F3NS/c1-5-13-7-4-6(9(10,11)12)2-3-8(7)14-5/h2-4H,1H3
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2-Fluoro-D-phenylalanine, 99+% (sum of enantiomers)
Cas Number: 97731-02-7Formula: C9H10FNO2Molecular weight: 183.18Synonyms: (2R)-2-amino-3-(2-fluorophenyl)propanoic acid | CHEBI:155832 | AKOS016843018 | 2-FLUORO-D-PHE | D-2-...SMILES: C1=CC=C(C(=C1)CC(C(=O)O)N)FInChIKey: NYCRCTMDYITATC-MRVPVSSYSA-NInChI: InChI=1S/C9H10FNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
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Chlorodihydrido{(R)-(+)-7-Bis(3,5-di-t-butylphenyl)phosphino-7''-[(3-methylpyridine-2-ylmethyl)amino]-2,2'',3,3''-tetrahydro-1,1''-spirobiindane}iridium(III), >97% (>99% ee) Ir-(R)-DTB-SpiroPAP-3-Me
Cas Number: 1396201-63-0Formula: C52H67ClIrN2PMolecular weight: 978.7SMILES: CC1=C(N=CC=C1)CNC2=CC=CC3=C2C4(CC3)CCC5=C4C(=CC=C5)P(C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C.Cl[IrH2]InChIKey: PBHYFCJJIBYGAE-ZCYYXTSSSA-MInChI: See more
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Cadmium
Formula: CdMolecular weight: 112.41Synonyms: 7440-43-9|Cadmium|Cd|Cadmium, elemental|Colloidal cadmium|Kadmium|Cadmium powder|Cadmium metal|Eleme...SMILES: [Cd]InChIKey: BDOSMKKIYDKNTQ-UHFFFAOYSA-NInChI: InChI=1S/Cd
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Chlorodihydrido{(S)-(-)-7-Bis(3,5-di-t-butylphenyl)phosphino-7''-[(3-methylpyridine-2-ylmethyl)amino]-2,2'',3,3''-tetrahydro-1,1''-spirobiindane}iridium(III), >97% (>99% ee) Ir-(S)-DTB-SpiroPAP-3-Me
Cas Number: 1418483-59-6Formula: C52H67ClIrN2PMolecular weight: 978.7SMILES: CC1=C(N=CC=C1)C[N-]C2=CC=CC3=C2C4(CC3)CCC5=C4C(=CC=C5)[PH+](C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C.Cl[IrH2]InChIKey: WOPBJABIVGWVDU-IUKTUPIYSA-NInChI: See more
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NS 398, Inhibitor of COX-2
Cas Number: 123653-11-2Formula: C13H18N2O5SMolecular weight: 314.36Synonyms: NS-398 | Bio2_000472 | CCRIS 8523 | N-(2-(cyclohexyloxy)-4-nitrophenyl)methanesulfonamide | s8433 | ...SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2CCCCC2InChIKey: KTDZCOWXCWUPEO-UHFFFAOYSA-NInChI: InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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Sodium hexabromoplatinate(IV) hexahydrate
Cas Number: 39277-13-9Formula: Na2PtBr6•6H2OMolecular weight: 828.49 (720.49anhy)Synonyms: DTXSID90192524 | disodium;hexabromoplatinum(2-) | SODIUM HEXABROMOPLATINATE(IV) | EINECS 254-398-8 |...SMILES: [Na+].[Na+].Br[Pt-2](Br)(Br)(Br)(Br)BrInChIKey: RFZKZIKSQSDBBI-UHFFFAOYSA-HInChI: InChI=1S/6BrH.2Na.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6
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2-Ethyl-4-fluorophenol
Cas Number: 398-71-0Formula: C8H9FOMolecular weight: 140.15Synonyms: 2-ethyl-4-fluorophenol|398-71-0|MFCD00067856|ethyl-4-fluorophenol|2-ethyl-4-fluoro-phenol|SCHEMBL364...SMILES: CCC1=C(C=CC(=C1)F)OInChIKey: JKZWRPGOAAMNQY-UHFFFAOYSA-NInChI: InChI=1S/C8H9FO/c1-2-6-5-7(9)3-4-8(6)10/h3-5,10H,2H2,1H3
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1-Bromo-2,3-dimethylbenzene
Formula: C8H9BrMolecular weight: 185.06Synonyms: B1282 | EINECS 209-398-2 | InChI=1/C8H9Br/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H | 3-Bromo-o-xylene | AKOS0...SMILES: CC1=C(C(=CC=C1)Br)CInChIKey: WLPXNBYWDDYJTN-UHFFFAOYSA-NInChI: InChI=1S/C8H9Br/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
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1H-Imidazol-2-amine
Cas Number: 7720-39-0Formula: C3H5N3Molecular weight: 83.1Synonyms: AB07116 | BDBM50316608 | Q27452839 | BBL029017 | STL146908 | BB 0262960 | AL-398/25017027 | FT-06504...SMILES: C1=CN=C(N1)NInChIKey: DEPDDPLQZYCHOH-UHFFFAOYSA-NInChI: InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)
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2′-Bromoacetophenone
Cas Number: 2142-69-0Formula: C8H7BrOMolecular weight: 199.04Synonyms: DTXSID2045571 | B0538 | 2-Acetylbromobenzene | EINECS 218-398-1 | InChI=1/C8H7BrO/c1-6(10)7-4-2-3-5-...SMILES: CC(=O)C1=CC=CC=C1BrInChIKey: PIMNFNXBTGPCIL-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
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2-(Chloromethyl)tetrahydro-2H-pyran
Cas Number: 18420-41-2Formula: C6H11ClOMolecular weight: 134.6Synonyms: BBL027598 | 2-(Chloromethyl)tetrahydro-2H-pyran, 99% | 2-(Chloromethyl)tetrahydro-2H-pyran | VS-0856...SMILES: C1CCOC(C1)CClInChIKey: PPYKTTGONDVGPX-UHFFFAOYSA-NInChI: InChI=1S/C6H11ClO/c7-5-6-3-1-2-4-8-6/h6H,1-5H2
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(4S,5R)-(-)-4-Benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2-oxazolidinone
Cas Number: 857637-92-4Formula: C18H14F13NO2Molecular weight: 523.29Synonyms: CTK5F5734 | (4S,5R)-(-)-4-Benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2-oxazolidinone,99...SMILES: C1=CC=C(C=C1)CC2C(OC(=O)N2)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)FInChIKey: LPSJVRKHQCWHPG-WDEREUQCSA-NInChI: InChI=1S/C18H14F13NO2/c19-13(20,14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31)7-6-11-10(32-12(33)34-11)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,32,33)/t10-,11+/m0/s1
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(4S,5R)-(-)-4-i-Propyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2-oxazolidinone
Cas Number: 871210-22-9Formula: C14H14F13NO2Molecular weight: 475.25Synonyms: (4S,5R)-(-)-4-Isopropyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2-oxaZolidinone | (4S,5R)-(...SMILES: CC(C)C1C(OC(=O)N1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)FInChIKey: KIONFYCZIQVYKJ-RQJHMYQMSA-NInChI: InChI=1S/C14H14F13NO2/c1-5(2)7-6(30-8(29)28-7)3-4-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h5-7H,3-4H2,1-2H3,(H,28,29)/t6-,7+/m1/s1
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Glycine-2-¹³C,¹⁵N
Cas Number: 91795-59-4Formula: H215N13CH2CO2HMolecular weight: 77.05Synonyms: 2-(15N)azanylacetic acid | Glycine-2-13C,15N | DTXSID80462167 | Glycine-2-13C;15N, 99% 13C, 99% 15N ...SMILES: C(C(=O)O)NInChIKey: DHMQDGOQFOQNFH-ZKDXJZICSA-NInChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+1,3+1
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(S)-(-)-2-Amino-1,1-diphenyl-1-propanol
Cas Number: 78603-91-5Formula: CH3CH(NH2)C(C6H5)2OHMolecular weight: 227.3Synonyms: AC-22556 | (S)-2-Amino-1,1-diphenyl-1-propanol | (2S)-2-amino-1,1-diphenylpropan-1-ol | DS-13396 | S...SMILES: CC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)NInChIKey: FMBMNSFOFOAIMZ-LBPRGKRZSA-NInChI: InChI=1S/C15H17NO/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,17H,16H2,1H3/t12-/m0/s1
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2-Methyl-3-nitrobenzyl alcohol
Cas Number: 23876-13-3Formula: C8H9NO3Molecular weight: 167.16Synonyms: 2-Methyl-3-nitrobenzyl alcohol, 99% | EINECS 245-923-1 | 2-methyl-3-nitrophenylmethanol | InChI=1/C8...SMILES: CC1=C(C=CC=C1[N+](=O)[O-])COInChIKey: QJANIQCEDPJNLO-UHFFFAOYSA-NInChI: InChI=1S/C8H9NO3/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-4,10H,5H2,1H3
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Methyl-¹³C,d₃-amine hydrochloride
Cas Number: 104809-19-0Formula: ¹³CH2D3N•HClMolecular weight: 35.073646Synonyms: DTXSID20583507 | trideuterio(113C)methanamine;hydrochloride | Methylamine-13C, D3 hydrochloride | Me...SMILES: CN.ClInChIKey: NQMRYBIKMRVZLB-SPZGMPHYSA-NInChI: InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H/i1+1D3;
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1-(2-Cyanoethyl)pyrrole
Cas Number: 43036-06-2Formula: C7H8N2Molecular weight: 120.15Synonyms: SB62116 | 1-(2-Cyanoethyl)pyrrole, >=99% | 3-pyrrol-1-ylpropanenitrile | Pyrrole-1-propionitrile | 3...SMILES: C1=CN(C=C1)CCC#NInChIKey: IYOLJLGYJMJLSU-UHFFFAOYSA-NInChI: InChI=1S/C7H8N2/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3,7H2
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L-Alanine-2-¹³C,¹⁵N
Cas Number: 285977-86-8Formula: CH313CH(15NH2)CO2HMolecular weight: 91.08Synonyms: DTXSID10480394 | (2R)-2-(15N)azanyl(213C)propanoic acid | L-Alanine-2-13C,15N, 98 atom % 15N, 99 ato...SMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-GMWHYDPQSA-NInChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1/i2+1,4+1
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Benzyl 2-propylacrylate
Cas Number: 118785-93-6Formula: H2C=C(CH2CH2CH3)CO2CH2C6H5Molecular weight: 204.26Synonyms: J-003884 | Benzyl 2-propylacrylate, 99% | starbld0026340 | Benzyl 2-propylacrylate | Benzyl 2-methyl...SMILES: CCCC(=C)C(=O)OCC1=CC=CC=C1InChIKey: VVMMMVHSJPQPMA-UHFFFAOYSA-NInChI: InChI=1S/C13H16O2/c1-3-7-11(2)13(14)15-10-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10H2,1H3
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Ethanol-2-¹³C
Cas Number: 14770-41-3Formula: 13CH3CH2OHMolecular weight: 47.06Synonyms: AKOS015910713 | Ethanol-2-13c(9ci) | Ethanol-2-(13-C) | Ethanol-2-13C, 99 atom % 13C | Ethanol-2-13C...SMILES: CCOInChIKey: LFQSCWFLJHTTHZ-OUBTZVSYSA-NInChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1+1
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Nitromethane-¹³C,d₃
Cas Number: 112898-45-0Formula: 13CD3NO2Molecular weight: 65.05Synonyms: Nitromethane-13c-d3,99 atom % 13c,99 a tom % d | Nitromethane-13C,d3, 99 atom % 13C, 99 atom % D | T...SMILES: C[N+](=O)[O-]InChIKey: LYGJENNIWJXYER-KQORAOOSSA-NInChI: InChI=1S/CH3NO2/c1-2(3)4/h1H3/i1+1D3
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