Name: 2,6-dichloro-3,5-dimethoxyphenylisocyanate
SMILES:
COc1cc(OC)c(Cl)c(N=C=O)c1ClMolecular Processing
Molecular formula
C9H7Cl2NO3
Molecular weight
248.06
Exact mass
246.9803
XLogP
2.98
TPSA
47.89
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
57.35
Supplementary Information
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Involved in 15 reactions→