AG00C757

38239-45-1 | 5-Bromo-3-methylthiophene-2-carboxylic acid

AG00C757

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CAS Number	38239-45-1
Catalog Number	AG00C757(AGN-PC-01RDRE)
Chemical Name	5-Bromo-3-methylthiophene-2-carboxylic acid
IUPAC Name	5-bromo-3-methylthiophene-2-carboxylic acid
InChI	InChI=1S/C6H5BrO2S/c1-3-2-4(7)10-5(3)6(8)9/h2H,1H3,(H,8,9)
InChI Key	JFFWMBSFXUTFLN-UHFFFAOYSA-N
MDL Number	MFCD11040352
Molecular Formula	C6H5BrO2S
Molecular Weight	221.0717
SMILES	O=C(C1=C(C)C=C(Br)S1)O
Synonyms	5-bromo-3-methylthiophene-2-carboxylic acid, 38239-45-1, 5-bromo-3-methylthiophene-2-carboxylicacid, 5-Bromo-3-methyl-thiophene-2-carboxylic acid, 2-Thiophenecarboxylic acid, 5-bromo-3-methyl-, 5-BROMO-3-METHYL-2-THIOPHENECARBOXYLIC ACID, PubChem10101, SCHEMBL364130, CTK4H9556, DTXSID30592584, JFFWMBSFXUTFLN-UHFFFAOYSA-N, BCP21604, KS-00002X0N, ANW-56300, MFCD11040352, ZINC44563519, AKOS015842469, FS-2570, QC-5989, RP27300, BC003503, SC-14525, AB0032936, AJ-109817, DB-069656, TC-064541, A6491, BB 0262059, FT-0682520, ST24044478, X6375, Z-0181, J-517042, I14-14797, C6H5BrO2S, CB11471,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.919g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.068g/mol
Monoisotopic Mass	219.919g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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