Name: aldehyde
SMILES:
O=Cc1ccc([N+](=O)[O-])cc1BrMolecular Processing
Molecular formula
C7H4BrNO3
Molecular weight
230.02
Exact mass
228.9375
XLogP
2.17
TPSA
60.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
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
Molar refractivity
46.18
Supplementary Information
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