Home Nitros 4-Fluoro-5-nitrobenzene-1,2-diamine

4-Fluoro-5-nitrobenzene-1,2-diamine

CAS No.:
113269-06-0
Catalog Number:
AG007SRC
Molecular Formula:
C6H6FN3O2
Molecular Weight:
171.1291
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Product Description
Catalog Number:
AG007SRC
Chemical Name:
4-Fluoro-5-nitrobenzene-1,2-diamine
CAS Number:
113269-06-0
Molecular Formula:
C6H6FN3O2
Molecular Weight:
171.1291
MDL Number:
MFCD00828924
IUPAC Name:
4-fluoro-5-nitrobenzene-1,2-diamine
InChI:
InChI=1S/C6H6FN3O2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H,8-9H2
InChI Key:
QZNALIMEKAACKP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(N)c(cc1F)N
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.044g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
171.131g/mol
Monoisotopic Mass:
171.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Identification of 2-amino-1,7-dimethylimidazo[4,5-g]quinoxaline: an abundant mutagenic heterocyclic aromatic amine formed in cooked beef. Chemical research in toxicology 20070301
Properties