AG003MOG

17266-30-7 | 2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid

AG003MOG

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CAS Number	17266-30-7
Catalog Number	AG003MOG(AGN-PC-0JN0CU)
Chemical Name	2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid
IUPAC Name	2-(5-chloro-1-benzothiophen-3-yl)acetic acid
InChI	InChI=1S/C10H7ClO2S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5H,3H2,(H,12,13)
InChI Key	QQKKTOPRRGBBCT-UHFFFAOYSA-N
MDL Number	MFCD00052308
Molecular Formula	C10H7ClO2S
Molecular Weight	226.6794
SMILES	O=C(O)CC1=CSC2=CC=C(Cl)C=C21
Synonyms	17266-30-7, 5-Chlorobenzo[b]thiophene-3-acetic acid, 2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid, 2-(5-chloro-1-benzothiophen-3-yl)acetic acid, BRN 1244795, Benzo(b)thiophene-3-acetic acid, 5-chloro-, 5-Chlorobenzo(b)thiophene-3-acetic acid, (5-Chloro-1-benzothien-3-yl)acetic acid, QQKKTOPRRGBBCT-UHFFFAOYSA-N, MFCD00052308, (5-chloro-1-benzothiophen-3-yl)acetic acid, CID205058, Maybridge4_002620, ACMC-20am45, AC1L4DV9, Oprea1_626164, 5-18-06-00448 (Beilstein Handbook Reference), SCHEMBL1520041, CHEMBL1230159, BDBM36500, CTK0H6363, DTXSID60169364, HMS1528H02, ZINC162019, AC1Q7524, 5-Chlorothianaphthene-3-acetic acid, 5-chlorobenzothiophene-3-acetic acid, 5554AD, SBB079526, AKOS022181661, CCG-251690, MCULE-9754763413, NE25486, VT20337, IDI1_032498, AJ-15874, AS-47810, Benzo[b]thiophene-3-aceticacid,5-chloro-, BP-11257, LS-41120, SC-54392, 5-chlorobenzo[b]thiophen-3-yl acetic acid, Benzo[b]thiophene-3-aceticacid, 5-chloro-, DB-026338, RT-002863, (5-Chloro-1-benzothien-3-yl)acetic acid #, FT-0620310, ST50408153, 2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid, 1, AN-278/25047014, Z1495385180, 2-(5-chlorobenzo[b]thiophen-3-yl)acetic acid, AldrichCPR, 3N2, C10H7ClO2S, C10-H7-Cl-O2-S, Benzo[b]thiophene-3-acetic acid, 5-chloro-,

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	1
Isotope Atom Count	0
Molecular Weight	226.674g/mol
Monoisotopic Mass	225.986g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number