AG007WRI

1052686-50-6 | 5-Bromo-4-fluoro-2-nitroaniline

AG007WRI

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CAS Number	1052686-50-6
Catalog Number	AG007WRI(AGN-PC-0WAMX2)
Chemical Name	5-Bromo-4-fluoro-2-nitroaniline
IUPAC Name	5-bromo-4-fluoro-2-nitroaniline
InChI	InChI=1S/C6H4BrFN2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2
InChI Key	CRBGRCCXVAWOCO-UHFFFAOYSA-N
MDL Number	MFCD21332915
Molecular Formula	C6H4BrFN2O2
Molecular Weight	235.0106
SMILES	NC1=CC(Br)=C(F)C=C1[N+]([O-])=O
Synonyms	5-Bromo-4-fluoro-2-nitroaniline, 1052686-50-6, ACMC-2098fh, SCHEMBL1192875, CTK8A9097, KS-00000QQX, DTXSID00736074, CRBGRCCXVAWOCO-UHFFFAOYSA-N, ANW-15195, MFCD21332915, ZINC82046449, 5-Bromo-4-fluoro-2-nitro-phenylamine, AKOS016001088, AK-95062, CJ-22001, DS-18016, AJ-124146, TC-103940, CS-0041744, ST24023960, Z6793, B-9277, C6H4BrFN2O2,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.944g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	235.012g/mol
Monoisotopic Mass	233.944g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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