AG002RE7

26018-73-5 | Benzo[b]thiophene-2-carboxylic acid, 6-chloro-

AG002RE7

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CAS Number	26018-73-5
Catalog Number	AG002RE7(AGN-PC-0LWY2L)
Chemical Name	Benzo[b]thiophene-2-carboxylic acid, 6-chloro-
IUPAC Name	6-chloro-1-benzothiophene-2-carboxylic acid
InChI	InChI=1S/C9H5ClO2S/c10-6-2-1-5-3-8(9(11)12)13-7(5)4-6/h1-4H,(H,11,12)
InChI Key	AVAGKGZNBMZOLD-UHFFFAOYSA-N
MDL Number	MFCD07377059
Molecular Formula	C9H5ClO2S
Molecular Weight	212.6528
SMILES	O=C(C1=CC2=CC=C(Cl)C=C2S1)O
Synonyms	26018-73-5, 6-Chlorobenzo[b]thiophene-2-carboxylic acid, 6-chloro-1-benzothiophene-2-carboxylic acid, Benzo[b]thiophene-2-carboxylic acid, 6-chloro-, AC1OG6B7, SCHEMBL156320, CTK1A1268, DTXSID20428000, AVAGKGZNBMZOLD-UHFFFAOYSA-N, ALBB-028242, KS-000025EE, ZINC4235095, 2202AB, MFCD07377059, SBB094712, STL474502, AKOS005072648, GA-0945, MCULE-2203734746, RP12360, AJ-49217, AK120891, SC-87191, TR-011780, 6-chlorobenzo[b]thiophen-2-ylcarboxylic acid, CS-0034958, FT-0681062, 6-chloro-benzo[b]thiophene-2-carboxylic acid, Z-1720, J-518606, I01-14376, C9H5ClO2S, CID7141919, 6-chlorobenzothiophene-2-carboxylic Acid, 6-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLICACID,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.97g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.647g/mol
Monoisotopic Mass	211.97g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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