Molecular Identity
alpha,3-Dichloro-2-methylbenzenepropanenitrile
2-chloro-3-(3-chloro-2-methylphenyl)propanenitrile
PubChem CID: 30603
2D Structure
Properties
C10H9Cl2N
Molecular Formula
214.09
Molecular Weight
g/mol
213.0112
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
23.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
1
H-Bond Acceptors
208
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC=C1Cl)CC(C#N)ClIsomeric SMILES
SMILES: CC1=C(C=CC=C1Cl)CC(C#N)ClSynonyms(20)
ORTHONIL21342-85-8DTXSID901030740Benzenepropanenitrile, alpha,3-dichloro-2-methyl-Alpha-chloro-beta-(3-chloro-o-tolyl)propionitrileRefChem:168605alpha,3-Dichloro-2-methylbenzenepropanenitrileDTXCID601515820244-337-3CCTPBi-ActPRB-8Propionitrile, 2-chloro-3-(3-chloro-o-tolyl)-NSC 239071PRB 8
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Molecular Structure
alpha,3-Dichloro-2-methylbenzenepropanenitrile
Loading structure...
Drug Network
Trials and conditions connected to alpha,3-Dichloro-2-methylbenzenepropanenitrile
Loading drug network...