2,4,6-Trinitro-N-(4-nitrophenyl)aniline
Basic information
- CAS
38417-97-9- Standard SMILES
O=[N+]([O-])c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1- InChIKey
XPASUWOQXAHESL-UHFFFAOYSA-N- Molecular formula
- C12H7N5O8
- Average molar mass
- 349.21 g/mol
- Monoisotopic mass
- 349.0294622
Names & identifiers
- Preferred name
- 2,4,6-Trinitro-N-(4-nitrophenyl)aniline
- IUPAC
- 2,4,6-trinitro-N-(4-nitrophenyl)aniline
- English name
- 2,4,6-trinitro-N-(4-nitrophenyl)aniline
- Molecular formula
- C12H7N5O8
- Molecular weight
- 349.21268
Names & synonyms
2,4,6-Trinitro-N-(4-nitrophenyl)aniline38417-97-9EINECS 253-920-12,4,6-Trinitro-N-(4-nitrophenyl)benzenamine2,4,4',6-TetranitrodiphenylamineBenzenamine, 2,4,6-trinitro-N-(4-nitrophenyl)-SCHEMBL11148926DTXSID30191753DB-260353NS000303822,4,6-Trinitro-N-(4-nitrophenyl)aniline #SR-01000196345
Show more names
SR-01000196345-1
Database identifiers
- CAS
38417-97-9- PubChem CID
- 631601
- DTXSID
DTXSID30191753- EC Number
- 253-920-1
- Nikkaji
- J142.052F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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