Name: 6-chloro-2-fluoro-3-(pivalamidomethyl)benzoyl isocyanate
SMILES:
CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)N=C=O)c1FMolecular Processing
Molecular formula
C14H14ClFN2O3
Molecular weight
312.73
Exact mass
312.0677
XLogP
2.62
TPSA
75.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
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
0.357
Molar refractivity
75.16
Supplementary Information
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Involved in 17 reactions→