AG0000OT

1000523-07-8 | 2-(2-Chloro-3-fluorophenyl)acetic acid

AG0000OT

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CAS Number	1000523-07-8
Catalog Number	AG0000OT(AGN-PC-0WAMOX)
Chemical Name	2-(2-Chloro-3-fluorophenyl)acetic acid
IUPAC Name	2-(2-chloro-3-fluorophenyl)acetic acid
InChI	InChI=1S/C8H6ClFO2/c9-8-5(4-7(11)12)2-1-3-6(8)10/h1-3H,4H2,(H,11,12)
InChI Key	JNMBDAACHFCAKX-UHFFFAOYSA-N
MDL Number	MFCD09925136
Molecular Formula	C8H6ClFO2
Molecular Weight	188.5834
SMILES	C(C(=O)O)c1c(Cl)c(F)ccc1
Synonyms	2-(2-Chloro-3-fluorophenyl)acetic acid, 1000523-07-8, 2-Chloro-3-fluorophenylacetic acid, SCHEMBL17838502, CTK8B7139, DTXSID70717178, KS-000024OJ, 2-Chloro-3-fluorobenzeneacetic acid, ANW-56484, CL8958, MFCD09925136, ZINC44374932, (2-Chloro-3-fluorophenyl)acetic acid, AKOS006311894, AM83158, CS-W023170, DS-2334, Benzeneacetic acid, 2-chloro-3-fluoro-, AK101139, AB0065854, AJ-109678, TC-145229, 4CH-009316, FT-0747362, ST24027473, Z3778, M-9794, C8H6ClFO2, 2-(2-Chloro-3-fluorophenyl)aceticacid, ACN-052069,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.004g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	188.582g/mol
Monoisotopic Mass	188.004g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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