C1=CC=C(C=C1)C(=O)N=C=O
CAS: 4461-33-0
Name: benzoyl isocyanate
SMILES: C1=CC=C(C=C1)C(=O)N=C=O

Molecular Processing

Molecular formula
C8H5NO2
Molecular weight
147.13
Exact mass
147.032
XLogP
1.16
TPSA
46.5
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
Molar refractivity
38.89

Supplementary Information

InChIKey: LURYMYITPCOQAU-UHFFFAOYSA-N
Synonyms
Benzoyl isocyanate4461-33-0RW47ZKR2X7Methanone, 1-phenyl-1-isocyanato-EINECS 224-717-5NSC-246191DTXSID90196249NSC 246191BENZOIC ACID, ANHYDRIDE WITH ISOCYANIC ACIDRefChem:118781DTXCID50118740224-717-5LURYMYITPCOQAU-UHFFFAOYSA-NBenzoylisocyanateMFCD00002032oxophenylmethanisocyanatebenzoyl isocynatePhCONCONSC246191isocyanato-phenyl-methanoneUNII-RW47ZKR2X7SCHEMBL84542SBB067603AKOS000160997FB09450Benzoyl isocyanate, technical grade, 90%NS00046777ST50824063G72590
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Involved in 250 reactions→

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