AG008VC1

104795-85-9 | Methyl 6-chlorobenzo[b]thiophene-2-carboxylate

AG008VC1

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CAS Number	104795-85-9
Catalog Number	AG008VC1(AGN-PC-01XG4I)
Chemical Name	Methyl 6-chlorobenzo[b]thiophene-2-carboxylate
IUPAC Name	methyl 6-chloro-1-benzothiophene-2-carboxylate
InChI	InChI=1S/C10H7ClO2S/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,1H3
InChI Key	YKNFICOVOXVEIN-UHFFFAOYSA-N
MDL Number	MFCD09027103
Molecular Formula	C10H7ClO2S
Molecular Weight	226.6794
SMILES	COC(=O)C1=CC2=C(S1)C=C(Cl)C=C2
Synonyms	104795-85-9, Methyl 6-chlorobenzo[b]thiophene-2-carboxylate, Methyl 6-chloro-1-benzothiophene-2-carboxylate, Benzo[b]thiophene-2-carboxylic acid, 6-chloro-, methyl ester, SCHEMBL1397715, CTK6I9615, DTXSID20594799, YKNFICOVOXVEIN-UHFFFAOYSA-N, ZINC8730028, ZX-AT018809, 1064AA, ANW-55222, MFCD09027103, SBB097044, AKOS005072813, FCH1327059, GA-0927, MCULE-1507981200, OR14067, RP13061, RTR-064861, KS-000025E8, AJ-58999, AK-70509, AX8201488, TR-064861, 6-Chloro-2-(methoxycarbonyl)benzo[b]thiophene, methyl 6-chloro-1-benzo[b]thiophene-2-carboxylate, 6-chloro-benzo[b]thiophene-2-carboxylic acid methyl ester, C10H7ClO2S,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.986g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.674g/mol
Monoisotopic Mass	225.986g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

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

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