이름: 4-bromo-2-methylphenyl isocyanate
SMILES:
Cc1cc(Br)ccc1N=C=OMolecular Processing
Molecular formula
C8H6BrNO
Molecular weight
212.05
Exact mass
210.9633
XLogP
2.72
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
46.66
Supplementary Information
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