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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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7-Bromo-1，1，1-trifluoroheptan-2-oneCas Number: 647831-24-1 Compound CID: 71378842IUPAC Name: 7-bromo-1,1,1-trifluoroheptan-2-oneSMILES: C(CCC(=O)C(F)(F)F)CCBrInChIKey: MAIKVCCDZVUYAQ-UHFFFAOYSA-NInChI: InChI=1S/C7H10BrF3O/c8-5-3-1-2-4-6(12)7(9,10)11/h1-5H2 -
1-Bromohexadecan-2-oneCas Number: 21436-52-2Formula: C16H31BrO Molecular Weight: 319.32IUPAC Name: 1-bromohexadecan-2-oneSMILES: CCCCCCCCCCCCCCC(=O)CBrInChIKey: ICZYLTOWIBJLIK-UHFFFAOYSA-NInChI: InChI=1S/C16H31BrO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h2-15H2,1H3
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2-Bromo-1-cyclopentylethanoneCas Number: 52423-62-8 Compound CID: 11252495Formula: C7H11BrO Molecular Weight: 191.07IUPAC Name: 2-bromo-1-cyclopentylethanoneSMILES: C1CCC(C1)C(=O)CBrInChIKey: CIQIZFMMQXIJTI-UHFFFAOYSA-NInChI: InChI=1S/C7H11BrO/c8-5-7(9)6-3-1-2-4-6/h6H,1-5H2
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1-(1-Chlorocyclopropyl)ethanoneFormula: C5H7ClO Molecular Weight: 118.56IUPAC Name: 1-(1-chlorocyclopropyl)ethanoneSMILES: CC(=O)C1(CC1)ClInChIKey: KADOHHPNWMXGNG-UHFFFAOYSA-NInChI: InChI=1S/C5H7ClO/c1-4(7)5(6)2-3-5/h2-3H2,1H3
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2-BromocyclopentanoneCas Number: 21943-50-0 Compound CID: 9855563Formula: C5H7BrO Molecular Weight: 163.02IUPAC Name: 2-bromocyclopentan-1-oneSMILES: C1CC(C(=O)C1)BrInChIKey: KZBPPOPPFUDSOP-UHFFFAOYSA-NInChI: InChI=1S/C5H7BrO/c6-4-2-1-3-5(4)7/h4H,1-3H2Synonyms: 2-bromocyclopentan-1-one | 2-bromo-Cyclopentanone | MFCD11109944 | 2-Bromocyclopentanone | 2-Bromo cyclopentanone | a...
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1，1，1，3，4，4，4-Heptafluoro-3-(trifluoromethyl)butan-2-oneCas Number: 756-12-7 Compound CID: 14175377Formula: C5F10O Molecular Weight: 266.04IUPAC Name: 1,1,1,3,4,4,4-heptafluoro-3-(trifluoromethyl)butan-2-oneSMILES: C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)FInChIKey: ABQIAHFCJGVSDJ-UHFFFAOYSA-NInChI: InChI=1S/C5F10O/c6-2(4(10,11)12,5(13,14)15)1(16)3(7,8)9
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2，2，6，6-TetrachlorocyclohexanoneCas Number: 3776-30-5 Compound CID: 77407Formula: C6H6Cl4O Molecular Weight: 235.9IUPAC Name: 2,2,6,6-tetrachlorocyclohexan-1-oneSMILES: C1CC(C(=O)C(C1)(Cl)Cl)(Cl)ClInChIKey: QCAHVKJGHYVLIS-UHFFFAOYSA-NInChI: InChI=1S/C6H6Cl4O/c7-5(8)2-1-3-6(9,10)4(5)11/h1-3H2
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Bis(perfluoroisopropyl)ketoneCas Number: 813-44-5 Compound CID: 69941Formula: C7F14O Molecular Weight: 366.06IUPAC Name: 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-oneSMILES: C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)FInChIKey: GRVMOMUDALILLH-UHFFFAOYSA-NInChI: InChI=1S/C7F14O/c8-2(4(10,11)12,5(13,14)15)1(22)3(9,6(16,17)18)7(19,20)21
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3-Chloro-3-methylbutanoneCas Number: 5950-19-6 Compound CID: 138631Formula: C5H9ClO Molecular Weight: 120.58IUPAC Name: 3-chloro-3-methylbutan-2-oneSMILES: CC(=O)C(C)(C)ClInChIKey: FTJRNNIDCLELRD-UHFFFAOYSA-NInChI: InChI=1S/C5H9ClO/c1-4(7)5(2,3)6/h1-3H3
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2-Bromocyclopent-2-enoneCas Number: 10481-34-2 Compound CID: 3014641Formula: C5H5OBr Molecular Weight: 160.99IUPAC Name: 2-bromocyclopent-2-en-1-oneSMILES: C1CC(=O)C(=C1)BrInChIKey: WJZDXONSAPNKGB-UHFFFAOYSA-NInChI: InChI=1S/C5H5BrO/c6-4-2-1-3-5(4)7/h2H,1,3H2
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1，1，1-Trichloro-3，3，3-trifluoro-2-propanoneCas Number: 758-42-9 Compound CID: 69796Formula: C3Cl3F3O Molecular Weight: 215.39IUPAC Name: 1,1,1-trichloro-3,3,3-trifluoropropan-2-oneSMILES: C(=O)(C(F)(F)F)C(Cl)(Cl)ClInChIKey: AVTAIKNWAIKGEV-UHFFFAOYSA-NInChI: InChI=1S/C3Cl3F3O/c4-2(5,6)1(10)3(7,8)9
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1-Cyclohexyl-2，2，2-trifluoroethan-1-oneIUPAC Name: 1-cyclohexyl-2,2,2-trifluoroethanoneSMILES: C1CCC(CC1)C(=O)C(F)(F)FInChIKey: RPTSLLGEWZGTHJ-UHFFFAOYSA-NInChI: InChI=1S/C8H11F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6H,1-5H2
