CAS: 140-53-4
名称: 2-(4-chlorophenyl)acetonitrile
SMILES:
C1=CC(=CC=C1CC#N)ClMolecular Processing
Molecular formula
C8H6ClN
Molecular weight
151.6
Exact mass
151.0189
XLogP
2.41
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
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
2
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
40.77
Supplementary Information
InChIKey: IVYMIRMKXZAHRV-UHFFFAOYSA-N
同義語
4-Chlorobenzyl cyanide140-53-4(4-Chlorophenyl)acetonitrile4-Chlorophenylacetonitrile2-(4-Chlorophenyl)acetonitrileBenzeneacetonitrile, 4-chloro-p-Chlorobenzyl cyanide4-Chlorobenzeneacetonitrile(p-Chlorophenyl)acetonitrileAcetonitrile, (p-chlorophenyl)-p-ChlorophenylacetonitrileMFCD000019184-Chlor-benzyl-cyanidNSC 49108DTXSID8051708K2K7AKZ2Z72-(4-chlorophenyl)-acetonitrileNSC-491084-Chlorobenzylcyanide2-(4-chlorophenyl)ethanenitrileCCRIS 91004-Chlor-benzyl-cyanid [German]Sibutramine Impurity 4EINECS 205-418-9BRN 0971171AI3-05596(4-Chlorophenyl)acetonitrile; Sibutramine Hydrochloride Monohydrate Imp. E (Pharmeuropa); Pyrimethamine Impurity C; Sibutramine Hydrochloride Monohydrate Impurity E; Sibutramine Impurity E4-CHLORO-BENZENEACETONITRILE4-chloro-benzylcyanidep-chlorphenylacetonitrile
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