이름: 2-(4-Bromomethyl-phenyl)-2-methyl-propionic acid methyl ester
SMILES:
COC(=O)C(C)(C)c1ccc(CBr)cc1Molecular Processing
Molecular formula
C12H15BrO2
Molecular weight
271.15
Exact mass
270.0255
XLogP
3.03
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
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
64.12
Supplementary Information
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