AG0033V7

31166-29-7 | 4,5-Dichlorothiophene-2-carboxylic acid

AG0033V7

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CAS Number	31166-29-7
Catalog Number	AG0033V7(AGN-PC-0JOP8M)
Chemical Name	4,5-Dichlorothiophene-2-carboxylic acid
IUPAC Name	4,5-dichlorothiophene-2-carboxylic acid
InChI	InChI=1S/C5H2Cl2O2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)
InChI Key	JDBAYLWBVQVMTD-UHFFFAOYSA-N
MDL Number	MFCD07366674
Molecular Formula	C5H2Cl2O2S
Molecular Weight	197.0392
NSC Number	202727
SMILES	O=C(C1=CC(Cl)=C(Cl)S1)O
Synonyms	4,5-dichlorothiophene-2-carboxylic acid, 31166-29-7, AK-76939, 2-Thiophenecarboxylic acid, 4,5-dichloro-, NSC202727, 4,5-dichloro-2-thiophenecarboxylic acid, AC1L77DK, SCHEMBL788050, Rivaroxaban Related Impurity 1, CTK1C4206, KS-00000NUW, DTXSID50308220, JDBAYLWBVQVMTD-UHFFFAOYSA-N, BCP06761, ZINC1737177, ANW-48877, FCH855007, MFCD07366674, AKOS000278207, CS-W005123, NSC-202727, QC-5829, 4,5-dichloro-thiophene-2-carboxylic acid, AJ-31360, BR-76939, DS-16916, SC-88761, AB0024123, AX8092549, ST2417894, TX-011979, 4CH-015728, FT-0692369, W5325, S-6316, 166D297, I09-1809, C5H2Cl2O2S, CID305687, 4,5-DICHLOROTHIOPHENE-2-CARBOXYLICACID, 4,5-Dichlorothiophene-2-carboxylic acid, 98% - 1G 1g,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.915g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	197.029g/mol
Monoisotopic Mass	195.915g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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