Name: tert-butyl N-tert-butoxycarbonyl-N-(3-bromo-6-fluoro-2,5-dimethylphenyl)carbamate
SMILES:
Cc1cc(Br)c(C)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1FMolecular Processing
Molecular formula
C18H25BrFNO4
Molecular weight
418.3
Exact mass
417.0951
XLogP
5.88
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
25
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
98.52
Supplementary Information
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