Basic information
- CAS
34749-63-8- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1- InChIKey
BVQWERYAWIDLFA-UHFFFAOYSA-N- Molecular formula
- C12H7ClN4O6
- Average molar mass
- 338.66 g/mol
- Monoisotopic mass
- 338.0054116
Names & identifiers
- Preferred name
- N-(4-Chlorophenyl)-2,4,6-trinitroaniline
- IUPAC
- N-(4-chlorophenyl)-2,4,6-trinitroaniline
Names & synonyms
N-(4-Chlorophenyl)-2,4,6-trinitroanilineMLS00292066634749-63-8SMR001798253NSC157487(4-chlorophenyl)-picryl-aminecid_291920SCHEMBL2681112CHEMBL1889401BDBM91446DTXSID20956232BVQWERYAWIDLFA-UHFFFAOYSA-N
Show more names
NSC-1574874'-Chloro-2,4,6-trinitrodiphenylamineN-(4-chlorophenyl)-2,4,6-trinitro-anilineN-(4-Chlorophenyl)-2,4,6-trinitroaniline #
Database identifiers
- CAS
34749-63-8- PubChem CID
- 291920
- DTXSID
DTXSID20956232- ChEMBL
CHEMBL1889401- Nikkaji
- J1.427.498G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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