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Alpha-halocarboxylic acids and derivatives
Description:
Carboxylic acids (or derivative thereof) containing a halogen atom bonded to the alpha carbon atom.
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Sodium iodoacetateFormula: ICH2COONa Molecular Weight: 207.93IUPAC Name: sodium;2-iodoacetateSMILES: C(C(=O)[O-])I.[Na+]InChIKey: AGDSCTQQXMDDCV-UHFFFAOYSA-MInChI: InChI=1S/C2H3IO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1 -
Sodium iodoacetateFormula: ICH2COONa Molecular Weight: 207.93IUPAC Name: sodium;2-iodoacetateSMILES: C(C(=O)[O-])I.[Na+]InChIKey: AGDSCTQQXMDDCV-UHFFFAOYSA-MInChI: InChI=1S/C2H3IO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
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2，3，3，3-Tetrafluoro-2-(1，1，2，3，3，3-hexafluoro-2-(1，1，2，3，3，3-hexafluoro-2-(trifluoromethoxy)propoxy)propoxy)propanoic acidCas Number: 65294-16-8 Compound CID: 182328Formula: C12HF23O5 Molecular Weight: 662.098IUPAC Name: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propanoic acidSMILES: C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)OInChIKey: HPNULWLLEOKCID-UHFFFAOYSA-NInChI: InChI=1S/C12HF23O5/c13-2(1(36)37,6(18,19)20)38-11(32,33)4(16,8(24,25)26)40-12(34,35)5(17,9(27,28)29)39-10(30,31)3(14,15)7(21,22)23/h(H,36,37)
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Sodium 2，2，3，3-tetrafluoropropanoateCas Number: 22898-01-7 Compound CID: 23672333Formula: C3HF4NaO2 Molecular Weight: 168.02IUPAC Name: sodium;2,2,3,3-tetrafluoropropanoateSMILES: C(C(C(=O)[O-])(F)F)(F)F.[Na+]InChIKey: SGUSXTMVKMPQKI-UHFFFAOYSA-MInChI: InChI=1S/C3H2F4O2.Na/c4-1(5)3(6,7)2(8)9;/h1H,(H,8,9);/q;+1/p-1
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Trichloroacetic acidCas Number: 76-03-9 EC Number: 200-927-2Formula: C2HCl3O2 Molecular Weight: 163.39IUPAC Name: 2,2,2-trichloroacetic acidSMILES: C(=O)(C(Cl)(Cl)Cl)OInChIKey: YNJBWRMUSHSURL-UHFFFAOYSA-NInChI: InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
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2-Ethoxyethyl 2-chloroacetateCas Number: 60682-94-2 Compound CID: 108995Formula: C6H11ClO3 Molecular Weight: 166.6IUPAC Name: 2-ethoxyethyl 2-chloroacetateSMILES: CCOCCOC(=O)CClInChIKey: KPAIAQWSRMSXDB-UHFFFAOYSA-NInChI: InChI=1S/C6H11ClO3/c1-2-9-3-4-10-6(8)5-7/h2-5H2,1H3
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2-Bromo-3-methoxypropanoic acidCas Number: 65090-78-0 Compound CID: 14606922Formula: C4H7BrO3 Molecular Weight: 183IUPAC Name: 2-bromo-3-methoxypropanoic acidSMILES: COCC(C(=O)O)BrInChIKey: PSAODTDHXIDDAT-UHFFFAOYSA-NInChI: InChI=1S/C4H7BrO3/c1-8-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)
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1-Fluorocyclopentanecarboxylic acidCas Number: 1557370-29-2 Compound CID: 21274053Formula: C6H9FO2 Molecular Weight: 132.13IUPAC Name: 1-fluorocyclopentane-1-carboxylic acidSMILES: C1CCC(C1)(C(=O)O)FInChIKey: LWWXIFDDFXCLPS-UHFFFAOYSA-NInChI: InChI=1S/C6H9FO2/c7-6(5(8)9)3-1-2-4-6/h1-4H2,(H,8,9)
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1，2-dibromo-1-methylpropionic acidCas Number: 33673-74-4 Compound CID: 3020165Formula: C4H6O2Br2 Molecular Weight: 245.89IUPAC Name: 2,3-dibromo-2-methylpropanoic acidSMILES: CC(CBr)(C(=O)O)BrInChIKey: UYCLMYDTNVHCAN-UHFFFAOYSA-NInChI: InChI=1S/C4H6Br2O2/c1-4(6,2-5)3(7)8/h2H2,1H3,(H,7,8)
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tert-Butyl 2，2-DichloroacetateCas Number: 49653-47-6 Compound CID: 3016483Formula: C6H10Cl2O2 Molecular Weight: 185.05IUPAC Name: tert-butyl 2,2-dichloroacetateSMILES: CC(C)(C)OC(=O)C(Cl)ClInChIKey: FOLRKRMAFDGZRR-UHFFFAOYSA-NInChI: InChI=1S/C6H10Cl2O2/c1-6(2,3)10-5(9)4(7)8/h4H,1-3H3
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Octan-2-yl 2-chloroacetateCas Number: 20411-47-6 Compound CID: 89333Formula: C10H19ClO2 Molecular Weight: 206.71IUPAC Name: octan-2-yl 2-chloroacetateSMILES: CCCCCCC(C)OC(=O)CClInChIKey: IJDHTIMWHATBKH-UHFFFAOYSA-NInChI: InChI=1S/C10H19ClO2/c1-3-4-5-6-7-9(2)13-10(12)8-11/h9H,3-8H2,1-2H3
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Bromofluoroacetic AcidCas Number: 359-25-1 Compound CID: 2782420Formula: C2H2O2FBr Molecular Weight: 156.93IUPAC Name: 2-bromo-2-fluoroacetic acidSMILES: C(C(=O)O)(F)BrInChIKey: ICTXGKNZADORBH-UHFFFAOYSA-NInChI: InChI=1S/C2H2BrFO2/c3-1(4)2(5)6/h1H,(H,5,6)
