AG0035VP

1055331-73-1 | 2-Bromo-5-fluoro-3-nitrobenzoicacid

AG0035VP

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CAS Number	1055331-73-1
Catalog Number	AG0035VP(AGN-PC-01XRQ6)
Chemical Name	2-Bromo-5-fluoro-3-nitrobenzoicacid
IUPAC Name	2-bromo-5-fluoro-3-nitrobenzoic acid
InChI	InChI=1S/C7H3BrFNO4/c8-6-4(7(11)12)1-3(9)2-5(6)10(13)14/h1-2H,(H,11,12)
InChI Key	NECOPMNBEYPKCO-UHFFFAOYSA-N
MDL Number	MFCD12173018
Molecular Formula	C7H3BrFNO4
Molecular Weight	264.0054
SMILES	BrC1=C(C(=O)O)C=C(C=C1[N+](=O)[O-])F
Synonyms	2-Bromo-5-fluoro-3-nitrobenzoic acid, 1055331-73-1, 2-Bromo-5-fluoro-3-nitrobenzoicacid, SCHEMBL4017658, DTXSID30595010, NECOPMNBEYPKCO-UHFFFAOYSA-N, 1253AA, MFCD12173018, STL450369, ZINC35333653, AKOS009485960, NE19665, AJ-91333, AS-10084, CS-0060168, C7H3BrFNO4,

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

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