名称: 3-chloro-6-methoxyphenyl isocyanate
SMILES:
COc1ccc(Cl)cc1N=C=OMolecular Processing
Molecular formula
C8H6ClNO2
Molecular weight
183.59
Exact mass
183.0087
XLogP
2.32
TPSA
38.66
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
45.79
Supplementary Information
詳細情報を取得中…
12 件の反応に参加→