Name: 5-bromo-N,N-dimethyl-2-nitrobenzenamine
SMILES:
CN(C)c1cc(Br)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C8H9BrN2O2
Molecular weight
245.08
Exact mass
243.9847
XLogP
2.42
TPSA
46.38
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
55.12
Supplementary Information
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