Basic information
- CAS
30361-90-1- Standard SMILES
O=[N+]([O-])c1cccc(-c2ncncn2)c1- InChIKey
YTTCADSUCSNMQI-UHFFFAOYSA-N- Molecular formula
- C9H6N4O2
- Average molar mass
- 202.17 g/mol
- Monoisotopic mass
- 202.04907545
Names & identifiers
- Preferred name
- 2-(3-Nitrophenyl)-1,3,5-triazine
- IUPAC
- 2-(3-nitrophenyl)-1,3,5-triazine
Names & synonyms
2-(3-nitrophenyl)-1,3,5-triazine30361-90-1DTXSID302752242-(3-nitrophenyl)-[1,3,5]triazine
Database identifiers
- CAS
30361-90-1- PubChem CID
- 35146
- DTXSID
DTXSID30275224- Nikkaji
- J1.613.666B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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