AG000RVG

1261603-30-8 | Benzeneacetic acid, 4-bromo-3-nitro-

AG000RVG

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CAS Number	1261603-30-8
Catalog Number	AG000RVG(AGN-PC-0WD263)
Chemical Name	Benzeneacetic acid, 4-bromo-3-nitro-
IUPAC Name	2-(4-bromo-3-nitrophenyl)acetic acid
InChI	InChI=1S/C8H6BrNO4/c9-6-2-1-5(4-8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12)
InChI Key	MLZLMIGRMVOYLK-UHFFFAOYSA-N
MDL Number	MFCD18392320
Molecular Formula	C8H6BrNO4
Molecular Weight	260.0415
SMILES	O=C(CC1=CC=C(C([N+]([O-])=O)=C1)Br)O
Synonyms	2-(4-bromo-3-nitrophenyl)acetic acid, 1261603-30-8, SCHEMBL10370637, MFCD18392320, Benzeneacetic acid, 4-bromo-3-nitro-, ZINC166519914, AS-30383,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.948g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	260.043g/mol
Monoisotopic Mass	258.948g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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