AG002LKK

229342-86-3 | 3-Chloro-4-methylthiophene-2-carboxylic acid

AG002LKK

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CAS Number	229342-86-3
Catalog Number	AG002LKK(AGN-PC-0LE8MQ)
Chemical Name	3-Chloro-4-methylthiophene-2-carboxylic acid
IUPAC Name	3-chloro-4-methylthiophene-2-carboxylic acid
InChI	InChI=1S/C6H5ClO2S/c1-3-2-10-5(4(3)7)6(8)9/h2H,1H3,(H,8,9)
InChI Key	LCMXOGJHXOFWNQ-UHFFFAOYSA-N
MDL Number	MFCD01570120
Molecular Formula	C6H5ClO2S
Molecular Weight	176.6207
SMILES	ClC1=C(SC=C1C)C(=O)O
Synonyms	3-chloro-4-methylthiophene-2-carboxylic acid, 229342-86-3, 3-Chloro-4-methyl-2-thiophenecarboxylic acid, 3-chloranyl-4-methyl-thiophene-2-carboxylic acid, Maybridge1_003918, AC1NEG95, SCHEMBL3636522, CTK1A0303, HMS552K02, KS-00003KEL, ZINC82010, DTXSID50404938, LCMXOGJHXOFWNQ-UHFFFAOYSA-N, 7815AD, MFCD01570120, SBB089216, AKOS006227702, FS-1509, MCULE-3387090011, NE47128, AJ-10578, RT-019632, FT-0615424, 3-chloro-4-methyl-thiophen-2-carboxylic acid, 2-Thiophenecarboxylicacid, 3-chloro-4-methyl-, 2-Thiophenecarboxylic acid, 3-chloro-4-methyl-, A811772, A816433, 3-CHLORO-4-METHYL-2-THIOPHENECARBOXYLICACID, Z1741962792, 3-Chloro-4-methyl-2-thiophenecarboxylic acid, AldrichCPR, C6H5ClO2S, CID4616920, 175137-12-9,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.97g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.614g/mol
Monoisotopic Mass	175.97g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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