Home Nitros 1,4-Benzenediamine, 2-nitro-N1-phenyl-

1,4-Benzenediamine, 2-nitro-N1-phenyl-

CAS No.:
2784-89-6
Catalog Number:
AG002UWB
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
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Product Description
Catalog Number:
AG002UWB
Chemical Name:
1,4-Benzenediamine, 2-nitro-N1-phenyl-
CAS Number:
2784-89-6
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
MDL Number:
MFCD00239471
IUPAC Name:
2-nitro-1-N-phenylbenzene-1,4-diamine
InChI:
InChI=1S/C12H11N3O2/c13-9-6-7-11(12(8-9)15(16)17)14-10-4-2-1-3-5-10/h1-8,14H,13H2
InChI Key:
WHJNKCNHEVCICH-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)[N+](=O)[O-])Nc1ccccc1
EC Number:
220-494-3
UNII:
1FZM1701IS
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties