Basic information
- CAS
64036-74-4- Standard SMILES
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc([N+](=O)[O-])cc1- InChIKey
YBBSIEMORQCPPR-UHFFFAOYSA-N- Molecular formula
- C14H8N4O5S
- Average molar mass
- 344.3 g/mol
- Monoisotopic mass
- 344.02154054
Names & identifiers
- Preferred name
- Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)-
- IUPAC
- 4-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
- English name
- N-(6-Nitrobenzothiazol-2-yl)-4-nitrobenzamide
- Molecular formula
- C14H8N4O5S
- Molecular weight
- 344.3
Names & synonyms
64036-74-4BENZOTHIAZOLE, 6-NITRO-2-(p-NITROBENZOYLAMINO)-2-(4-Nitrobenzoylamino)-6-nitrobenzothiazoleDTXSID40214023RefChem:328225DTXCID401365144-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamideN-(6-Nitrobenzothiazol-2-yl)-4-nitrobenzamideOprea1_022912Oprea1_312929AKOS000637807DB-320492
Show more names
Benzamide, 4-nitro-N-(6-nitro-2-benzothiazolyl)-
ST50227443N-(6-nitrobenzothiazol-2-yl)(4-nitrophenyl)carboxamide
Database identifiers
- CAS
64036-74-4- PubChem CID
- 46376
- DTXSID
DTXSID40214023- Nikkaji
- J65.537F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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