AG005X04

958454-33-6 | 2-(2-Bromo-3-fluorophenyl);acetic acid

AG005X04

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CAS Number	958454-33-6
Catalog Number	AG005X04(AGN-PC-0WANQL)
Chemical Name	2-(2-Bromo-3-fluorophenyl);acetic acid
IUPAC Name	2-(2-bromo-3-fluorophenyl)acetic acid
InChI	InChI=1S/C8H6BrFO2/c9-8-5(4-7(11)12)2-1-3-6(8)10/h1-3H,4H2,(H,11,12)
InChI Key	GQCHYZKUKPMGKK-UHFFFAOYSA-N
MDL Number	MFCD09864672
Molecular Formula	C8H6BrFO2
Molecular Weight	233.0344
SMILES	O=C(O)CC1=CC=CC(F)=C1Br
Synonyms	958454-33-6, 2-(2-bromo-3-fluorophenyl)acetic acid, 2-Bromo-3-fluorophenylacetic acid, (2-Bromo-3-fluoro-phenyl)-acetic acid, (2-bromo-3-fluorophenyl)acetic acid, 2-Bromo-3-fluorophenylaceticacid, CTK5H8246, DTXSID20650425, 2-bromo-3-fluorobenzeneacetic acid, 6562AC, MFCD09864672, SBB098020, ZINC16158467, AKOS015835172, AM62262, QC-7465, KS-000011O7, AJ-68534, AK-53651, AS-10434, CS-0041784, FT-0681802, Y-8776, 2-(2-bromanyl-3-fluoranyl-phenyl)ethanoic acid, A837971, I04-3541, -ACETICACID, C8H6BrFO2, 2-(2-Bromo-3-fluorophenyl)aceticacid, ACN-055663, 739336-26-6,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.954g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.036g/mol
Monoisotopic Mass	231.954g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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