2-chloro-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
Basic information
- CAS
69819-49-4- Standard SMILES
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc([N+](=O)[O-])cc1Cl- InChIKey
CIPMIMQMJJBZIK-UHFFFAOYSA-N- Molecular formula
- C10H5ClN4O5S
- Average molar mass
- 328.69 g/mol
- Monoisotopic mass
- 327.9669181
Names & identifiers
- Preferred name
- 2-chloro-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
- IUPAC
- 2-chloro-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
Names & synonyms
69819-49-42-chloro-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamideNSC171307Oprea1_198360DTXSID70305635AKOS008971306NSC-171307
Database identifiers
- CAS
69819-49-4- PubChem CID
- 298933
- DTXSID
DTXSID70305635
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 442
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Compound notes
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