AG00C6JA

35475-03-7 | Methyl-5-chlorothiophene-2-carboxylate

AG00C6JA

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CAS Number	35475-03-7
Catalog Number	AG00C6JA(AGN-PC-0JTE23)
Chemical Name	Methyl-5-chlorothiophene-2-carboxylate
IUPAC Name	methyl 5-chlorothiophene-2-carboxylate
InChI	InChI=1S/C6H5ClO2S/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3
InChI Key	SQVGSFPLDUMEDG-UHFFFAOYSA-N
MDL Number	MFCD06203698
Molecular Formula	C6H5ClO2S
Molecular Weight	176.6207
SMILES	O=C(C1=CC=C(Cl)S1)OC
Synonyms	methyl 5-chlorothiophene-2-carboxylate, 35475-03-7, methyl-5-chlorothiophene-2-carboxylate, 5-Chloro-thiophene-2-carboxylic acid methyl ester, Methyl 5-chloro-2-thiophenecarboxylate, SQVGSFPLDUMEDG-UHFFFAOYSA-N, Methyl 2-chloro-5-thiophenecarboxylate, 2-Thiophenecarboxylic acid, 5-chloro-, methyl ester, AC1LBV07, SCHEMBL427704, DTXSID90343397, CS-M2941, 3840AH, MFCD06203698, ZINC32188861, AKOS000278809, MB03690, QC-5846, RL03341, KS-0000108Q, AC-28050, AJ-84933, AK-46873, AS-50325, Methyl 5-chloro-2-thiophenecarboxylate #, AB0048670, FT-0708691, 5-Chlorothiophene-2-carboxylic acid methyl ester, J-522476, C6H5ClO2S, CID589473,

Complexity	140
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	0
Isotope Atom Count	0
Molecular Weight	176.614g/mol
Monoisotopic Mass	175.97g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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