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Search results for: '513246-99-6'
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(4-(Piperazin-1-yl)phenyl)boronic acid
Cas Number: 513246-99-6Formula: C10H15BN2O2Molecular weight: 206.05SMILES: B(C1=CC=C(C=C1)N2CCNCC2)(O)OInChIKey: WEKCEGUGFNLQIA-UHFFFAOYSA-NInChI: InChI=1S/C10H15BN2O2/c14-11(15)9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12,14-15H,5-8H2
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D-Glucose-6-¹³C
Cas Number: 106032-62-6Formula: 13CC5H12O6Molecular weight: 181.15Synonyms: D-(6-~13~C)Glucose | (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(613C)hexanal | J-001531 | DTXSID60745905 |...SMILES: O[13CH2][C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=OInChIKey: GZCGUPFRVQAUEE-HYISWWFJSA-NInChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i2+1
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Lithium-⁶Li fluoride
Cas Number: 14885-65-5Formula: FLiMolecular weight: 25.01Synonyms: Lithium fluoride (radioactive 6 LiF) | Lithium-6Li fluoride | Lithium-6Li fluoride, 95 atom % 6Li, 9...SMILES: [Li+].[F-]InChIKey: PQXKHYXIUOZZFA-HCMAANCNSA-MInChI: InChI=1S/FH.Li/h1H;/q;+1/p-1/i;1-1
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2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
Cas Number: 1261365-99-4Formula: C6H5Cl2NO2Molecular weight: 194.02Synonyms: 2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol | DTXSID30679162 | FT-0714801 | 1261365-99-4 | 2,5-Dichlo...SMILES: C1=C(C(=NC(=C1Cl)CO)Cl)OInChIKey: YWXKGQHEXLFGDI-UHFFFAOYSA-NInChI: InChI=1S/C6H5Cl2NO2/c7-3-1-5(11)6(8)9-4(3)2-10/h1,10-11H,2H2
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3-Bromo-4-chloro-6-trifluoromethylquinoline
Cas Number: 1204810-99-0Formula: C10H4BrClF3NMolecular weight: 310.5Synonyms: 3-Bromo-4-chloro-6-trifluoromethylquinoline, AldrichCPR | MFCD13192972 | DTXSID70671180 | 1204810-99...SMILES: C1=CC2=NC=C(C(=C2C=C1C(F)(F)F)Cl)BrInChIKey: BNOPQFZALQIKEY-UHFFFAOYSA-NInChI: InChI=1S/C10H4BrClF3N/c11-7-4-16-8-2-1-5(10(13,14)15)3-6(8)9(7)12/h1-4H
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Pentanamide, N-(3-(1-(2-(8-chloro-5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-2-oxoethyl)-4-piperidinyl)propyl)-N-ethyl-2,2-dimethyl-
Cas Number: 145301-48-0Formula: C31H42ClN5O3Molecular weight: 568.1Synonyms: Bibn 99 | Bibn-99 | Pentanamide, N-(3-(1-(2-(8-chloro-5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzod...SMILES: CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC1)CC(=O)N2C3=C(C=C(C=C3)Cl)C(=O)NC4=C2N=CC=C4InChIKey: LUPAFPUKESJDMZ-UHFFFAOYSA-NInChI: See more
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Poly(acrylic acid-comaleic acid)
Cas Number: 26677-99-6Synonyms: 26677-99-6|furan-2,5-dione;prop-2-enoic acid|SCHEMBL893612|DTXSID10181197|NSC124031|AKOS015899663|NS...SMILES: C=CC(=O)O.C1=CC(=O)OC1=OInChIKey: JPZROSNLRWHSQQ-UHFFFAOYSA-NInChI: InChI=1S/C4H2O3.C3H4O2/c5-3-1-2-4(6)7-3;1-2-3(4)5/h1-2H;2H,1H2,(H,4,5)
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5-Chloroisoquinolin-6-amine
Cas Number: 566943-99-5Formula: C9H7ClN2Molecular weight: 178.62Synonyms: 5-chloroisoquinolin-6-amine|566943-99-5|6-Isoquinolinamine,5-chloro-(9CI)|CHEMBL416020|5-chloro-6-am...SMILES: C1=CC(=C(C2=C1C=NC=C2)Cl)NInChIKey: RLQWMNZPARVHIG-UHFFFAOYSA-NInChI: InChI=1S/C9H7ClN2/c10-9-7-3-4-12-5-6(7)1-2-8(9)11/h1-5H,11H2
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6-Benzyloxypurine
Cas Number: 57500-07-9Formula: C12H10N4OMolecular weight: 226.24Synonyms: AC-19698 | Purine, 6-benzyloxy- | AKOS015904887 | DTXSID70357472 | 6-Benzyloxypurine | 6-benzyl-oxyp...SMILES: C1=CC=C(C=C1)COC2=NC=NC3=C2NC=N3InChIKey: ZZZXGPGVDJDFCJ-UHFFFAOYSA-NInChI: InChI=1S/C12H10N4O/c1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12/h1-5,7-8H,6H2,(H,13,14,15,16)
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N,N,2-Trimethylquinolin-6-amine
Cas Number: 92-99-9Formula: C12H14N2Molecular weight: 186.25Synonyms: N,N,2-Trimethylquinolin-6-amine|92-99-9|6-Quinolinamine, N,N,2-trimethyl-|6-(Dimethylamino)quinaldin...SMILES: CC1=NC2=C(C=C1)C=C(C=C2)N(C)CInChIKey: JGRWYZQONRFIFH-UHFFFAOYSA-NInChI: InChI=1S/C12H14N2/c1-9-4-5-10-8-11(14(2)3)6-7-12(10)13-9/h4-8H,1-3H3
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Ethyl 6-(chloromethyl)pyridine-2-carboxylate
Cas Number: 49668-99-7Formula: C9H10ClNO2Molecular weight: 199.6Synonyms: ethyl 6-(chloromethyl)pyridine-2-carboxylate|49668-99-7|Ethyl 6-(chloromethyl)picolinate|2-PYRIDINEC...SMILES: CCOC(=O)C1=CC=CC(=N1)CClInChIKey: UBRNJYSCVHFYDB-UHFFFAOYSA-NInChI: InChI=1S/C9H10ClNO2/c1-2-13-9(12)8-5-3-4-7(6-10)11-8/h3-5H,2,6H2,1H3
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Benz-¹³C₆-aldehyde
Cas Number: 153489-14-6Formula: 13C6H5CHOMolecular weight: 112.08Synonyms: SCHEMBL10051945 | Benz-13C6-aldehyde, 99 atom % 13C | Benz-13C6-aldehyde | DTXSID50448670 | benz-13c...SMILES: C1=CC=C(C=C1)C=OInChIKey: HUMNYLRZRPPJDN-ZXJNGCBISA-NInChI: InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i1+1,2+1,3+1,4+1,5+1,7+1
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methyl 4-bromo-1-(trifluoromethyl)indole-6-carboxylate
Cas Number: 2306261-99-2Formula: C11H7NO2F3BrMolecular weight: 322.08Synonyms: 2306261-99-2 | methyl 4-bromo-1-(trifluoromethyl)indole-6-carboxylate | Methyl 4-bromo-1-(trifluorom...SMILES: COC(=O)C1=CC2=C(C=CN2C(F)(F)F)C(=C1)BrInChIKey: JICNHQHBKRDOLE-UHFFFAOYSA-NInChI: InChI=1S/C11H7BrF3NO2/c1-18-10(17)6-4-8(12)7-2-3-16(9(7)5-6)11(13,14)15/h2-5H,1H3
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4-Bromo-N-cyclohexyl-2,3-difluoro-6-nitroaniline
Cas Number: 1365272-99-6Formula: C12H13BrF2N2O2Molecular weight: 335.1Synonyms: 4-Bromo-N-cyclohexyl-2,3-difluoro-6-nitroaniline|1365272-99-6|DTXSID80742931|MFCD21609498|AKOS016001...SMILES: C1CCC(CC1)NC2=C(C(=C(C=C2[N+](=O)[O-])Br)F)FInChIKey: IOWVSUZCYPHGOP-UHFFFAOYSA-NInChI: InChI=1S/C12H13BrF2N2O2/c13-8-6-9(17(18)19)12(11(15)10(8)14)16-7-4-2-1-3-5-7/h6-7,16H,1-5H2
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2-Bromo-6-(trifluoromethoxy)benzothiazole
Cas Number: 628725-99-5Formula: C8H3BrF3NOSMolecular weight: 298.1Synonyms: 628725-99-5|2-bromo-6-(trifluoromethoxy)benzo[d]thiazole|2-BROMO-6-(TRIFLUOROMETHOXY)BENZOTHIAZOLE|2...SMILES: C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)BrInChIKey: KDMNQLMJVHMDCQ-UHFFFAOYSA-NInChI: InChI=1S/C8H3BrF3NOS/c9-7-13-5-2-1-4(3-6(5)15-7)14-8(10,11)12/h1-3H
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Cucurbit[6]uril hydrate
Cas Number: 80262-44-8Formula: C36H36N24O12 · xH2OMolecular weight: 996.82 (anhydrous basis)Synonyms: SCHEMBL16272338 | DTXSID101317823 | SCHEMBL13527759 | CHEBI:51432 | Cucurbit[6]uril (CB[6]) hydrate,...SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C1=OInChIKey: MSBXTPRURXJCPF-UHFFFAOYSA-NInChI: See more
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6-Mercapto-1-hexanol
Cas Number: 1633-78-9Formula: C6H14OSMolecular weight: 134.24Synonyms: BCP24942 | 1-Hexanol, 6-mercapto- | SCHEMBL36563 | EN300-314574 | PENTAFLUOROPROPIONALDEHYDEHYDRATE,...SMILES: C(CCCS)CCOInChIKey: UGZAJZLUKVKCBM-UHFFFAOYSA-NInChI: InChI=1S/C6H14OS/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
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Pyrazine
Formula: C4H4N2Molecular weight: 80.09Synonyms: NSC 400221 | PYRAZINE [MI] | BP-10420 | InChI=1/C4H4N2/c1-2-6-4-3-5-1/h1-4 | p-Diazine | 1,4-Diazin ...SMILES: C1=CN=CC=N1InChIKey: KYQCOXFCLRTKLS-UHFFFAOYSA-NInChI: InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H
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6-Methylpurine
Formula: C6H6N4Molecular weight: 134.14Synonyms: UNII-SEO6WX0OZG | 6-Methylpurine | W-200569 | NCGC00188229-01 | DB02113 | SCHEMBL129804 | SEO6WX0OZG...SMILES: CC1=C2C(=NC=N1)N=CN2InChIKey: SYMHUEFSSMBHJA-UHFFFAOYSA-NInChI: InChI=1S/C6H6N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3H,1H3,(H,7,8,9,10)
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6-Fluoroquinolin-2-amine
Cas Number: 791626-57-8Formula: C9H7FN2Molecular weight: 162.16Synonyms: 6-fluoroquinolin-2-amine|791626-57-8|CHEMBL185917|2-AMINO-6-FLUOROQUINOLINE|6-Fluoro-2-quinolinamine...SMILES: C1=CC2=C(C=CC(=N2)N)C=C1FInChIKey: DSROYDXRWJWKRT-UHFFFAOYSA-NInChI: InChI=1S/C9H7FN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12)
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6-Chloro-2-(tributylstannyl)pyridine
Cas Number: 263698-99-3Formula: C17H30ClNSnMolecular weight: 402.6Synonyms: 6-Chloro-2-(tributylstannyl)pyridine|263698-99-3|2-chloro-6-(tributylstannyl)pyridine|Tributyl-(6-ch...SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC=CC(=N1)ClInChIKey: SRBYIFPGENOZFS-UHFFFAOYSA-NInChI: InChI=1S/C5H3ClN.3C4H9.Sn/c6-5-3-1-2-4-7-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;
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2,2'3,5',6-Pentachlorobiphenyl
Cas Number: 38379-99-6Formula: C12H5Cl5Molecular weight: 326.43Synonyms: 2,2',3,5',6-PENTACHLOROBIPHENYL|38379-99-6|Pcb-95|Pcb 95|1,1'-Biphenyl, 2,2',3,5',6-pentachloro-|UNI...SMILES: C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2Cl)Cl)Cl)ClInChIKey: GXNNLIMMEXHBKV-UHFFFAOYSA-NInChI: InChI=1S/C12H5Cl5/c13-6-1-2-8(14)7(5-6)11-9(15)3-4-10(16)12(11)17/h1-5H
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3-Amino-N-butylbenzamide
Cas Number: 6837-99-6Formula: C11H16N2OMolecular weight: 192.3Synonyms: 3-amino-N-butylbenzamide|6837-99-6|SCHEMBL6258472|DTXSID00398893|MFCD00088668|STL067990|AKOS00014837...SMILES: CCCCNC(=O)C1=CC(=CC=C1)NInChIKey: KHNPBDZUBXOTRQ-UHFFFAOYSA-NInChI: InChI=1S/C11H16N2O/c1-2-3-7-13-11(14)9-5-4-6-10(12)8-9/h4-6,8H,2-3,7,12H2,1H3,(H,13,14)
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