Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]
Name: 2-bromo-4,6-dinitrobenzenamine
SMILES: Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]

Molecular Processing

Molecular formula
C6H4BrN3O4
Molecular weight
262.02
Exact mass
260.9385
XLogP
1.85
TPSA
112.3
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
51.86

Supplementary Information

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