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127074-39-9

127074-39-9 | Benzenamine, 2-nitro-N-(2-nitrophenyl)-N-phenyl-

CAS No: 127074-39-9 Catalog No: AG000WNJ MDL No:

Product Description

Catalog Number:
AG000WNJ
Chemical Name:
Benzenamine, 2-nitro-N-(2-nitrophenyl)-N-phenyl-
CAS Number:
127074-39-9
Molecular Formula:
C18H13N3O4
Molecular Weight:
335.3135
IUPAC Name:
2-nitro-N-(2-nitrophenyl)-N-phenylaniline
InChI:
InChI=1S/C18H13N3O4/c22-20(23)17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)21(24)25/h1-13H
InChI Key:
ZVVAXVFTBWYHKV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1N(c1ccccc1[N+](=O)[O-])c1ccccc1

Properties

Complexity:
436  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.091g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.319g/mol
Monoisotopic Mass:
335.091g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  

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