AG00FFCH

7099-87-8 | 2-(4-Bromophenyl)-2-oxoacetic acid

AG00FFCH

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CAS Number	7099-87-8
Catalog Number	AG00FFCH(AGN-PC-0TYLSR)
Chemical Name	2-(4-Bromophenyl)-2-oxoacetic acid
IUPAC Name	2-(4-bromophenyl)-2-oxoacetic acid
InChI	InChI=1S/C8H5BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4H,(H,11,12)
InChI Key	UASZGGQRDGLTIQ-UHFFFAOYSA-N
MDL Number	MFCD07698695
Molecular Formula	C8H5BrO3
Molecular Weight	229.0275
SMILES	O=C(O)C(C1=CC=C(Br)C=C1)=O
Synonyms	2-(4-bromophenyl)-2-oxoacetic acid, 7099-87-8, AC1LCOK2, 4-Bromophenyloxoacetic acid, SCHEMBL3500800, DTXSID40345346, UASZGGQRDGLTIQ-UHFFFAOYSA-N, (4-Bromophenyl)(oxo)acetic acid #, 1010AC, MFCD07698695, ZINC32222741, DS-5387, MCULE-9463589270, NE39199, AJ-85067, AK118729, Benzeneacetic acid, 4-bromo-.alpha.-oxo-, FT-0715703, EN300-77244, C8H5BrO3, (4-Bromophenyl)(oxo)acetic acid, 2-(4-Bromophenyl)-2-oxoaceticacid, CID603899,

Complexity	195
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

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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