C1=CC=C(C=C1)C2=C(C(=CC=C2)N)[N+](=O)[O-]
Name: 2-nitro-3-phenylaniline
SMILES: C1=CC=C(C=C1)C2=C(C(=CC=C2)N)[N+](=O)[O-]

Molecular Processing

Molecular formula
C12H10N2O2
Molecular weight
214.22
Exact mass
214.0742
XLogP
2.84
TPSA
69.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
62.94

Supplementary Information

InChIKey: GCHAFDAQEYRPLG-UHFFFAOYSA-N
Synonyme
3-amino-2 -nitrobiphenyl2-amino-6-phenyl-nitrobenzeneSCHEMBL1556277GCHAFDAQEYRPLG-UHFFFAOYSA-N
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