الاسم: 1,1-Dimethylethyl [(3-bromo-5-cyanophenyl)methyl]carbamate
SMILES:
CC(C)(C)OC(=O)NCc1cc(Br)cc(C#N)c1Molecular Processing
Molecular formula
C13H15BrN2O2
Molecular weight
311.18
Exact mass
310.0317
XLogP
3.35
TPSA
62.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
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
0.385
Molar refractivity
71.93
Supplementary Information
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