AG003RRS

59812-34-9 | Methyl 3-chloro-6-methylbenzo[b]thiophene-2-carboxylate

AG003RRS

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CAS Number	59812-34-9
Catalog Number	AG003RRS(AGN-PC-0L6A9M)
Chemical Name	Methyl 3-chloro-6-methylbenzo[b]thiophene-2-carboxylate
IUPAC Name	methyl 3-chloro-6-methyl-1-benzothiophene-2-carboxylate
InChI	InChI=1S/C11H9ClO2S/c1-6-3-4-7-8(5-6)15-10(9(7)12)11(13)14-2/h3-5H,1-2H3
InChI Key	MGACFENQJJMRFI-UHFFFAOYSA-N
MDL Number	MFCD01630702
Molecular Formula	C11H9ClO2S
Molecular Weight	240.7060
SMILES	O=C(C1=C(Cl)C2=CC=C(C)C=C2S1)OC
Synonyms	59812-34-9, methyl 3-chloro-6-methyl-1-benzothiophene-2-carboxylate, Methyl 3-chloro-6-methylbenzo[b]thiophene-2-carboxylate, Methyl 6-Methyl-3-Chlorobenzo[b]thiophene-2-Carboxylate, Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-methyl-, methyl ester, MGACFENQJJMRFI-UHFFFAOYSA-N, ACMC-20akhd, AC1N4EHN, SCHEMBL5023563, CTK1G7750, DTXSID40400005, ALBB-012096, ZINC2746123, 6439AE, BBL016581, MFCD01630702, STK424639, AKOS003236004, MCULE-1070270188, TC-166216, FT-0684395, ST45246199, AE-641/05550051, 3-chloro-2-methoxycarbonyl-6-methylbenzo[b]thiophene, I01-14138, Z275159006, Methyl 3-chloro-6-methylbenzo[b]thiophene-2-carboxylate, 97%, C11H9ClO2S, ZINC02746123, CID4154210, METHYL3-CHLORO-6-METHYLBENZO THIOPHE&,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.001g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	240.701g/mol
Monoisotopic Mass	240.001g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319-H413
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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