Basic information
- CAS
42816-80-8- Standard SMILES
O=C(Nc1cccc2nsnc12)c1ccc([N+](=O)[O-])cc1- InChIKey
RASNJTILYILMAX-UHFFFAOYSA-N- Molecular formula
- C13H8N4O3S
- Average molar mass
- 300.29 g/mol
- Monoisotopic mass
- 300.0317113
Names & identifiers
- Preferred name
- N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide
- IUPAC
- N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide
Names & synonyms
N-(2,1,3-benzothiadiazol-4-yl)-4-nitrobenzamide42816-80-8Benzamide, N-2,1,3-benzothiadiazol-4-yl-4-nitro-CBMicro_006007Oprea1_325416DTXSID501240197SMSF0016541AKOS001486784CB08187BIM-0005814.P001EU-0007389N-2,1,3-benzothiadiazol-4-yl-4-nitrobenzamide
Show more names
SR-01000456268SR-01000456268-1
Database identifiers
- CAS
42816-80-8- PubChem CID
- 711900
- DTXSID
DTXSID501240197
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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