Benzonitrile, 2-(2,4-dichlorophenoxy)-5-nitro-

HCID 514833CAS 78940-63-3
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1Cl
InChIKey
NQPUYEACYVPIPO-UHFFFAOYSA-N
Molecular formula
C13H6Cl2N2O3
Average molar mass
309.1 g/mol
Monoisotopic mass
307.97554741

Names & identifiers

Preferred name
Benzonitrile, 2-(2,4-dichlorophenoxy)-5-nitro-
IUPAC
2-(2,4-dichlorophenoxy)-5-nitrobenzonitrile

Names & synonyms

2-(2,4-dichlorophenoxy)-5-nitrobenzonitrile78940-63-3Benzonitrile, 2-(2,4-dichlorophenoxy)-5-nitro-CHEMBL335144SCHEMBL11096315DTXSID90229389NQPUYEACYVPIPO-UHFFFAOYSA-NEBC-12184AKOS0172618732-(2,4-dichlorophenoxy)-5-nitro-benzonitrileEN300-22471305Z31210061

Database identifiers

CAS
78940-63-3
PubChem CID
514833
DTXSID
DTXSID90229389
ChEMBL
CHEMBL335144

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
78.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
20

Related reactions

2 records
New reaction record

Linked notes

Loading…