CCCCCCCCC(C#N)C1=C(C=C(C=C1)Cl)Cl
Nom: 2-(2,4-dichlorophenyl)decanenitrile
SMILES: CCCCCCCCC(C#N)C1=C(C=C(C=C1)Cl)Cl

Molecular Processing

Molecular formula
C16H21Cl2N
Molecular weight
298.26
Exact mass
297.1051
XLogP
6.35
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
8
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
82.81

Supplementary Information

InChIKey: XIGSFHOTBWNHKU-UHFFFAOYSA-N
Synonymes
SCHEMBL11480155XIGSFHOTBWNHKU-UHFFFAOYSA-Nalpha-n-octyl-2,4-dichlorobenzyl cyanide
Voir la source →
Impliqué dans 5 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→