Name: 1,2-dichloro-2,2-difluoro-1-(trifluoromethyl)ethyl isocyanate
SMILES:
O=C=NC(Cl)(C(F)(F)F)C(F)(F)ClMolecular Processing
Molecular formula
C4Cl2F5NO
Molecular weight
243.95
Exact mass
242.9277
XLogP
2.65
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
33.56
Supplementary Information
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