Name: ethyl 4-nitro-3-bromomethylbenzoate
SMILES:
CCOC(=O)c1ccc([N+](=O)[O-])c(CBr)c1Molecular Processing
Molecular formula
C10H10BrNO4
Molecular weight
288.1
Exact mass
286.9793
XLogP
2.67
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
61.68
Supplementary Information
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