5,7-Bisnitro-4-(3-toluidino)-2,1,3-benzoxadiazole
Completing data — refresh the page later to see the latest
Basic information
- CAS
330964-83-5- Standard SMILES
Cc1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3nonc23)c1- InChIKey
JJCKLYQNBIRBAH-UHFFFAOYSA-N- Molecular formula
- C13H9N5O5
- Average molar mass
- 315.24 g/mol
- Monoisotopic mass
- 315.0603684
Names & identifiers
- Preferred name
- 5,7-Bisnitro-4-(3-toluidino)-2,1,3-benzoxadiazole
- IUPAC
- N-(3-methylphenyl)-5,7-dinitro-2,1,3-benzoxadiazol-4-amine
- English name
- 5,7-bisnitro-4-(3-toluidino)-2,1,3-benzoxadiazole
- Molecular formula
- C13H9N5O5
- Molecular weight
- 315.24106
Names & synonyms
5,7-bisnitro-4-(3-toluidino)-2,1,3-benzoxadiazoleN-(3-methylphenyl)-5,7-dinitro-2,1,3-benzoxadiazol-4-amineOprea1_540016AKOS000601712ST51176850AG-690/08785026SR-01000312802SR-01000312802-1
Database identifiers
- CAS
330964-83-5- PubChem CID
- 3097914
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…