Basic information
- CAS
64724-87-4- Standard SMILES
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1[N+](=O)[O-]- InChIKey
VIQLIJJZBHGRDL-UHFFFAOYSA-N- Molecular formula
- C10H6N4O5S
- Average molar mass
- 294.25 g/mol
- Monoisotopic mass
- 294.00589029
Names & identifiers
- Preferred name
- 2-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
- IUPAC
- 2-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
Names & synonyms
2-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide64724-87-4DTXSID50313632RefChem:264311DTXCID50264756NSC273751Oprea1_205107CHEMBL4761689SCHEMBL11154311VIQLIJJZBHGRDL-UHFFFAOYSA-NNSC-2737512-nitro-N-(5-nitro-2-thiazolyl)-benzamide
Database identifiers
- CAS
64724-87-4- PubChem CID
- 321578
- DTXSID
DTXSID50313632- ChEMBL
CHEMBL4761689
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 409
Related reactions
2 records
Compound notes
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