Name: (2-Amino-6-bromo-benzyl)-methyl-carbamic acid tert-butyl ester
SMILES:
CN(Cc1c(N)cccc1Br)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C13H19BrN2O2
Molecular weight
315.21
Exact mass
314.063
XLogP
3.4
TPSA
55.56
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
0.462
Molar refractivity
76.26
Supplementary Information
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