C1=CC=C(C=C1)N=C=O
CAS: 103-71-9
Nombre: isocyanatobenzene
SMILES: C1=CC=C(C=C1)N=C=O

Molecular Processing

Molecular formula
C7H5NO
Molecular weight
119.12
Exact mass
119.0371
XLogP
1.65
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
34.22

Supplementary Information

InChIKey: DGTNSSLYPYDJGL-UHFFFAOYSA-N
Sinónimos
PHENYL ISOCYANATEIsocyanatobenzene103-71-9Benzene, isocyanato-PhenylcarbimideCarbanilphenylisocyanatePhenyl carbonimideFenylisokyanatIsocyanic acid, phenyl esterMondur PPhNCOKarbanil196GO6BSOHDTXSID5051521CHEBI:53806NSC-74454RefChem:172961DTXCID1030070203-137-6isocyanato-benzeneNSC 74454Karbanil [Czech]Fenylisokyanat [Czech]Isocyanic Acid Phenyl EsterHSDB 5356EINECS 203-137-6UN2487UNII-196GO6BSOHphenyl isocynate
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