Basic information
- CAS
36845-13-3- Standard SMILES
O=C(Nc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1- InChIKey
MZJHBCRXWKBZRB-UHFFFAOYSA-N- Molecular formula
- C12H8ClN3O3
- Average molar mass
- 277.66 g/mol
- Monoisotopic mass
- 277.0254188
Names & identifiers
- Preferred name
- Benzamide, N-(5-chloro-2-pyridinyl)-4-nitro-
- IUPAC
- N-(5-chloro-2-pyridinyl)-4-nitrobenzamide
Names & synonyms
Benzamide, N-(5-chloro-2-pyridinyl)-4-nitro-N-(5-chloropyridin-2-yl)-4-nitrobenzamideN-(5-Chloro-2-pyridinyl)-4-nitrobenzamide36845-13-3BRN 0417889Oprea1_456441Oprea1_497957DTXSID30190322STK414478AKOS000727702EU-0017321ST45173375
Show more names
SR-01000392585N-(5-chloro(2-pyridyl))(4-nitrophenyl)carboxamideSR-01000392585-1
Database identifiers
- CAS
36845-13-3- PubChem CID
- 215935
- DTXSID
DTXSID30190322
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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