Name: t-butyl 4-bromomethyl-3-nitrobenzoate
SMILES:
CC(C)(C)OC(=O)c1ccc(CBr)c([N+](=O)[O-])c1Molecular Processing
Molecular formula
C12H14BrNO4
Molecular weight
316.15
Exact mass
315.0106
XLogP
3.45
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
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
0.417
Molar refractivity
70.9
Supplementary Information
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