C1=CC(=C(C=C1Cl)Cl)CC#N
CAS: 6306-60-1
Nom: 2-(2,4-dichlorophenyl)acetonitrile
SMILES: C1=CC(=C(C=C1Cl)Cl)CC#N

Molecular Processing

Molecular formula
C8H5Cl2N
Molecular weight
186.04
Exact mass
184.9799
XLogP
3.06
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
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
0.125
Molar refractivity
45.78

Supplementary Information

InChIKey: VJARIBGMDPJLCL-UHFFFAOYSA-N
Synonymes
2,4-Dichlorophenylacetonitrile2-(2,4-Dichlorophenyl)acetonitrile2,4-Dichlorobenzyl cyanideBenzeneacetonitrile, 2,4-dichloro-(2,4-Dichlorophenyl)acetonitrile2,4-DichlorobenzeneacetonitrileAcetonitrile, (2,4-dichlorophenyl)-DTXSID6041185UNII-D9J4C5M11ED9J4C5M11EEINECS 228-621-4NSC-22988AI3-12073DTXCID4021185VJARIBGMDPJLCL-UHFFFAOYSA-NSC 22988DICHLOROPHENYLACETONITRILE, 2,4-RefChem:82396InChI=1/C8H5Cl2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2VJARIBGMDPJLCL-UHFFFAOYSA-N6306-60-1MFCD000018992-(2,4-dichlorophenyl)ethanenitrile(2,4-dichloro-phenyl)-acetonitrileSCHEMBL549082Benzeneacetonitrile,4-dichloro-orb19873662,4-dichlorophenyl acetonitrile2,4-dichlorophenyl-acetonitrileAcetonitrile,4-dichlorophenyl)-
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