CAS: 100-47-0
이름: benzonitrile
SMILES:
C1=CC=C(C=C1)C#NMolecular Processing
Molecular formula
C7H5N
Molecular weight
103.12
Exact mass
103.0422
XLogP
1.56
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0
Molar refractivity
31.16
Supplementary Information
InChIKey: JFDZBHWFFUWGJE-UHFFFAOYSA-N
동의어
BENZONITRILE100-47-0Phenyl cyanideCyanobenzeneBenzenenitrileBenzoic acid nitrileBenzene, cyano-BenzenecarbonitrilePhenylcyanideFenylkyanidDTXSID70214919V9APP5H5SC6H5-CNNSC-8039DTXCID001491CHEBI:27991RefChem:5590benzonitrile;phenyl cyanide202-855-7Fenylkyanid [Czech]NSC 8039MFCD00001770UN2224AI3-24184Benzonitrile [UN2224] [Poison]benzonitril4-cyanobenzeneCAS-100-47-0HSDB 45CCRIS 3184
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