AG000YRV

1290117-21-3 | Benzoic acid, 3-bromo-4-fluoro-5-nitro-

AG000YRV

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CAS Number	1290117-21-3
Catalog Number	AG000YRV(AGN-PC-0WNQBR)
Chemical Name	Benzoic acid, 3-bromo-4-fluoro-5-nitro-
IUPAC Name	3-bromo-4-fluoro-5-nitrobenzoic acid
InChI	InChI=1S/C7H3BrFNO4/c8-4-1-3(7(11)12)2-5(6(4)9)10(13)14/h1-2H,(H,11,12)
InChI Key	DEPOWDIDJDBOFC-UHFFFAOYSA-N
MDL Number	MFCD18914494
Molecular Formula	C7H3BrFNO4
Molecular Weight	264.0054
SMILES	BrC=1C=C(C(=O)O)C=C(C1F)[N+](=O)[O-]
Synonyms	3-Bromo-4-fluoro-5-nitrobenzoic acid, 1290117-21-3, ACMC-209bg0, SCHEMBL12479698, CTK8B0013, DTXSID90716481, DEPOWDIDJDBOFC-UHFFFAOYSA-N, ANW-19102, MFCD18914494, ZINC74934291, AKOS015888496, 3-Bromo-4-fluoro-5-nitro-benzoic acid, Benzoic acid, 3-bromo-4-fluoro-5-nitro-, AJ-121356, TC-107847, ST24022733, Z9455, A-3053, I01-10677, C7H3BrFNO4, 3-Bromo-4-fluoro-5-nitrobenzoicacid,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.923g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	264.006g/mol
Monoisotopic Mass	262.923g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number