AG00FHGI

7194-78-7 | 2-(3-Bromophenyl)-2-oxoacetic acid

AG00FHGI

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CAS Number	7194-78-7
Catalog Number	AG00FHGI(AGN-PC-0TZOPS)
Chemical Name	2-(3-Bromophenyl)-2-oxoacetic acid
IUPAC Name	2-(3-bromophenyl)-2-oxoacetic acid
InChI	InChI=1S/C8H5BrO3/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4H,(H,11,12)
InChI Key	NOKUFSBJFYUWLW-UHFFFAOYSA-N
MDL Number	MFCD07698694
Molecular Formula	C8H5BrO3
Molecular Weight	229.0275
SMILES	C(=O)(C(=O)O)c1cc(Br)ccc1
Synonyms	2-(3-BROMOPHENYL)-2-OXOACETIC ACID, 7194-78-7, SCHEMBL2684848, CTK5I8314, DTXSID90482538, NOKUFSBJFYUWLW-UHFFFAOYSA-N, (3-bromo-phenyl)-oxo-acetic acid, KS-00000PN0, MFCD07698694, ZINC39191296, AKOS022176067, DS-7651, AJ-98931, AK143405, CS-0041879,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.942g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.029g/mol
Monoisotopic Mass	227.942g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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