5-Chloro-N1-(4'-cyanophenyl)-2,4-dinitroaniline

HCID 70697396
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Basic information

Standard SMILES
N#Cc1ccc(Nc2cc(Cl)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIKey
DBHPWAUUHYNUMT-UHFFFAOYSA-N
Molecular formula
C13H7ClN4O4
Average molar mass
318.67 g/mol

Names & identifiers

Preferred name
5-Chloro-N1-(4'-cyanophenyl)-2,4-dinitroaniline
IUPAC
4-(5-chloro-2,4-dinitroanilino)benzonitrile

Names & synonyms

CHEMBL2088175SCHEMBL2915035DBHPWAUUHYNUMT-UHFFFAOYSA-NBDBM504213205-Chloro-N1-(4'-cyanophenyl)-2,4-dinitroaniline

Database identifiers

PubChem CID
70697396
ChEMBL
CHEMBL2088175

Properties

Computed structural properties

XLogP
4
Topological polar surface area
127 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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