AG000GLE

1153279-80-1 | Benzoic acid, 5-bromo-2-fluoro-3-nitro-

AG000GLE

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CAS Number	1153279-80-1
Catalog Number	AG000GLE(AGN-PC-03Q8UB)
Chemical Name	Benzoic acid, 5-bromo-2-fluoro-3-nitro-
IUPAC Name	5-bromo-2-fluoro-3-nitrobenzoic acid
InChI	InChI=1S/C7H3BrFNO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,(H,11,12)
InChI Key	SXOKSXISBYNNQM-UHFFFAOYSA-N
MDL Number	MFCD12173024
Molecular Formula	C7H3BrFNO4
Molecular Weight	264.0054
SMILES	BrC=1C=C(C(=C(C(=O)O)C1)F)[N+](=O)[O-]
Synonyms	5-Bromo-2-fluoro-3-nitrobenzoic acid, 1153279-80-1, ACMC-2099px, SCHEMBL18342840, CTK8A9292, DTXSID10626275, ANW-16867, MFCD12173024, ZINC35333673, AKOS009486459, Benzoic acid, 5-bromo-2-fluoro-3-nitro-, TC-105612, CS-0059842, Z7703, B-8793, 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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