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Alpha-haloketones
Description:
Organic compounds contaning a halogen atom attached to the alpha carbon atom relative to C=O group.
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2-Bromo-3-pentanoneCas Number: 815-52-1Formula: C5H9BrO Molecular Weight: 165.03IUPAC Name: 2-bromopentan-3-oneSMILES: CCC(=O)C(C)BrInChIKey: VUDTYIUNUSPULX-UHFFFAOYSA-NInChI: InChI=1S/C5H9BrO/c1-3-5(7)4(2)6/h4H,3H2,1-2H3Synonyms: 2-Bromo-pentan-3-one | 2-bromopentan-3-one | AMY6079 | SCHEMBL1500268 | 2-Bromo-3-pentanone | MFCD11036312 | AKOS0002... -
1,1,1-Trifluoro-2-butanoneCas Number: 381-88-4 Compound CID: 238288Formula: CF3COC2H5 Molecular Weight: 126.08IUPAC Name: 1,1,1-trifluorobutan-2-oneSMILES: CCC(=O)C(F)(F)FInChIKey: QBVHMPFSDVNFAY-UHFFFAOYSA-NInChI: InChI=1S/C4H5F3O/c1-2-3(8)4(5,6)7/h2H2,1H3Synonyms: trifluoro-2-butanone | UNII-DU2S3EQD9U | 2-Butanone,1,1-trifluoro- | trifluoromethylethylketone | AKOS005063654 | DTX... -
2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-oneCas Number: 95111-49-2 Compound CID: 2724547Formula: C7H3Br4NO3 Molecular Weight: 468.72IUPAC Name: 2,3,5,6-tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dien-1-oneSMILES: CC1(C(=C(C(=O)C(=C1Br)Br)Br)Br)[N+](=O)[O-]InChIKey: KKWDBDVGMIDKLP-UHFFFAOYSA-NInChI: InChI=1S/C7H3Br4NO3/c1-7(12(14)15)5(10)2(8)4(13)3(9)6(7)11/h1H3Synonyms: SY103665 | T73096 | 2,3,5,6-tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dien-1-one | MFCD00067043 | BS-22783 | T1431 | 2...
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2-ChlorocyclododecanoneCas Number: 35951-28-1Formula: C12H21ClO Molecular Weight: 216.75IUPAC Name: 2-chlorocyclododecan-1-oneSMILES: C1CCCCCC(=O)C(CCCC1)ClInChIKey: VDNDILHUSVTMNI-UHFFFAOYSA-NInChI: InChI=1S/C12H21ClO/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11H,1-10H2Synonyms: 2-chloro-cyclododecan-1-one | 2-chlorocyclododecan-1-one | MFCD04117912 | DTXSID80340678 | SY054697 | Cyclododecanone...
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1,1-DifluoroacetoneCas Number: 431-05-0Formula: C3H4F2O Molecular Weight: 94.06IUPAC Name: 1,1-difluoropropan-2-oneSMILES: CC(=O)C(F)FInChIKey: XHILZHAQBOLGFD-UHFFFAOYSA-NInChI: InChI=1S/C3H4F2O/c1-2(6)3(4)5/h3H,1H3Synonyms: 1,1-difluoroacetone|431-05-0|1,1-difluoropropan-2-one|1,1-Difluoro-2-propanone|MFCD02262166|2-Propanone, 1,1-difluoro...
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1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanoneCas Number: 756-13-8Formula: C6F12O Molecular Weight: 316.05IUPAC Name: 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-oneSMILES: C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(F)FInChIKey: RMLFHPWPTXWZNJ-UHFFFAOYSA-NInChI: InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18Synonyms: 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)-3-pentanone | FK-5-1-12 | EC 436-710-6 | Heptafluoroisopropyl pentaf...
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1,1-DibromopinacoloneCas Number: 30263-65-1Formula: C6H10Br2O Molecular Weight: 257.95IUPAC Name: 1,1-dibromo-3,3-dimethylbutan-2-oneSMILES: CC(C)(C)C(=O)C(Br)BrInChIKey: WIPDATICDHNWKG-UHFFFAOYSA-NInChI: InChI=1S/C6H10Br2O/c1-6(2,3)4(9)5(7)8/h5H,1-3H3Synonyms: 1,1-Dibromopinacolone|30263-65-1|2-BUTANONE, 1,1-DIBROMO-3,3-DIMETHYL-|1,1-dibromo-3,3-dimethylbutan-2-one|Dibromopin...
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3-Chloro-2-butanoneCas Number: 4091-39-8Formula: C4H7ClO Molecular Weight: 106.55IUPAC Name: 3-chlorobutan-2-oneSMILES: CC(C(=O)C)ClInChIKey: OIMRLHCSLQUXLL-UHFFFAOYSA-NInChI: InChI=1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3Synonyms: F0001-1156 | DTXSID00863319 | 1-Chloroethyl methyl ketone | BBL027312 | AKOS000121549 | ?3-Chloro-2-butanone | Q17622...
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1,3-DibromoacetoneCas Number: 816-39-7Formula: C3H4Br2O Molecular Weight: 215.87IUPAC Name: 1,3-dibromopropan-2-oneSMILES: C(C(=O)CBr)BrInChIKey: LQQKDSXCDXHLLF-UHFFFAOYSA-NInChI: InChI=1S/C3H4Br2O/c4-1-3(6)2-5/h1-2H2Synonyms: 2-Propanone,3-dibromo- | CS-W020932 | Bis(bromomethyl) ketone | C3H4Br2O | bromomethylketone | 1,3-dibromopropanone |...
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PACOCF3Cas Number: 141022-99-3 Compound CID: 4670Formula: C17H31F3O Molecular Weight: 308.4IUPAC Name: 1,1,1-trifluoroheptadecan-2-oneSMILES: CCCCCCCCCCCCCCCC(=O)C(F)(F)FInChIKey: MAHYXYTYTLCTQD-UHFFFAOYSA-NInChI: InChI=1S/C17H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(21)17(18,19)20/h2-15H2,1H3Synonyms: 1,1,1-Trifluoro-2-heptadecanone # | CHEBI:186740 | 1,1,1-Trifluoro-2-heptadecanone | 1,1,1-Trifluoro-heptadecan-2-one...
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Hexafluoroacetone trihydrateCas Number: 34202-69-2 EC Number: 211-676-3Formula: C3F6O·3H2O Molecular Weight: 220.07IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-one;trihydrateSMILES: C(=O)(C(F)(F)F)C(F)(F)F.O.O.OInChIKey: SNZAEUWCEHDROX-UHFFFAOYSA-NInChI: InChI=1S/C3F6O.3H2O/c4-2(5,6)1(10)3(7,8)9;;;/h;3*1H2Synonyms: MFCD00149061 | 2-Propanone, 1,1,1,3,3,3-hexafluoro-,?hydrate (1:3) | J-521439 | Hexafluoroacetone trihydrate, 98% | 1...
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HexachloroacetoneCas Number: 116-16-5 EC Number: 204-129-5Formula: C3Cl6O Molecular Weight: 264.75IUPAC Name: 1,1,1,3,3,3-hexachloropropan-2-oneSMILES: C(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)ClInChIKey: DOJXGHGHTWFZHK-UHFFFAOYSA-NInChI: InChI=1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9Synonyms: 1,1,1,3,3,3-Hexachloroacetone # | HEXACHLOROACETONE [HSDB] | HEXACHLOROACETONE | hexachloro-acetone | EC 204-129-5 | ...
