3-Methylaniline; 2,4,6-trinitrophenol
Basic information
- CAS
13296-85-0- Standard SMILES
Cc1cccc(N)c1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
XGWCPKGQTCXXJQ-UHFFFAOYSA-N- Molecular formula
- C13H12N4O7
- Average molar mass
- 336.26 g/mol
- Monoisotopic mass
- 336.07059873
Names & identifiers
- Preferred name
- 3-Methylaniline; 2,4,6-trinitrophenol
- IUPAC
- 3-methylaniline;2,4,6-trinitrophenol
Names & synonyms
13296-85-03-methylaniline; 2,4,6-trinitrophenolNSC405678DTXSID10324082NSC-4056782,4,6-Trinitrophenol--3-methylaniline (1/1)
Database identifiers
- CAS
13296-85-0- PubChem CID
- 347168
- DTXSID
DTXSID10324082
Properties
Computed structural properties
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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