AG003J9Y

34576-92-6 | 3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid

AG003J9Y

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CAS Number	34576-92-6
Catalog Number	AG003J9Y(AGN-PC-0JVVQG)
Chemical Name	3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid
IUPAC Name	3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid
InChI	InChI=1S/C9H4ClFO2S/c10-7-5-2-1-4(11)3-6(5)14-8(7)9(12)13/h1-3H,(H,12,13)
InChI Key	HSRSWUJIPYUCSE-UHFFFAOYSA-N
MDL Number	MFCD00228531
Molecular Formula	C9H4ClFO2S
Molecular Weight	230.6433
SMILES	ClC=1C2=C(SC1C(=O)O)C=C(C=C2)F
Synonyms	34576-92-6, 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid, 3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid, 3-Chloro-6-fluoro-benzo[b]thiophene-2-carboxylic acid, HSRSWUJIPYUCSE-UHFFFAOYSA-N, BAS 01213368, ACMC-20an6c, AC1LFAH0, AC1Q4OE3, Cambridge id 5245485, TimTec1_007102, CBDivE_008274, SCHEMBL594468, CTK1C3386, DTXSID10353736, HMS1554C18, ZINC198793, ACT07949, ALBB-000951, 1009AE, BBL013607, MFCD00228531, SBB006952, STK371290, AKOS000114786, MCULE-5864466781, AJ-17848, AS-46993, SC-41256, TR-014300, BB 0258312, FT-0678482, ST50007715, K-7869, 3-CHLORO-6-FLUOROBENZO(B)THIOPHENE-2-CA&, 3-chloro-6-flurobenzo thiophene-2-carboxylic acid, AE-641/00568002, 3-chloro-6-fluorobenzo[B]thiophene-2-carboxylic ac, J-019657, 3-chloro-6-fluorobenzo [b]thiophene-2-carboxylic acid, I01-14143, Z56794113, Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-fluoro-, Benzo[b]thiophene-2-carboxylicacid, 3-chloro-6-fluoro-, 3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid, 97%, 3R4, C9H4Cl2O2S, AR-1F2654, CID750330, 3,6-dichloro-1-benzothiophene-2-carboxylic acid, 3-CHLORO-6-FLUOROBENZO THIOPHENE-2-CA&, 34576-94-8, 34793-12-9,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.96g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.637g/mol
Monoisotopic Mass	229.96g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number