Name: tert-butyl 3-(bromomethyl)benzoate
SMILES:
CC(C)(C)OC(=O)c1cccc(CBr)c1Molecular Processing
Molecular formula
C12H15BrO2
Molecular weight
271.15
Exact mass
270.0255
XLogP
3.54
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
64.24
Supplementary Information
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