C1=CC(=CC=C1N=C=O)Cl
CAS: 104-12-1
Nombre: 1-chloro-4-isocyanatobenzene
SMILES: C1=CC(=CC=C1N=C=O)Cl

Molecular Processing

Molecular formula
C7H4ClNO
Molecular weight
153.57
Exact mass
152.9981
XLogP
2.31
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
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
39.23

Supplementary Information

InChIKey: ADAKRBAJFHTIEW-UHFFFAOYSA-N
Sinónimos
4-Chlorophenyl isocyanate104-12-11-Chloro-4-isocyanatobenzenep-Chlorophenyl isocyanateBenzene, 1-chloro-4-isocyanato-4-Chloroisocyanatobenzenepara-Chlorophenyl isocyanate4-Chlorophenylisocyanatep-ChlorfenylisokyanatISOCYANIC ACID, P-CHLOROPHENYL ESTERp-Chlorfenylisokyanat [Czech]NSC 76589DTXSID7040732HSDB 1331EINECS 203-176-9W46XL60WI8NSC-76589DTXCID5020732EC 203-176-9P-CHLORFENYLISOKYANAT (CZECH)benzene,1-chloro-4-isocyanatopChlorfenylisokyanat4ChloroisocyanatobenzenepChlorophenyl isocyanate1Chloro4isocyanatobenzeneRefChem:522031paraChlorophenyl isocyanateBenzene, 1chloro4isocyanatoIsocyanic acid, pchlorophenyl ester203-176-9
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