Basic information
- CAS
63860-32-2- Standard SMILES
O=C(c1ccncn1)c1cc(Cl)ccc1[N+](=O)[O-]- InChIKey
VRRYSJYSNXIGEK-UHFFFAOYSA-N- Molecular formula
- C11H6ClN3O3
- Average molar mass
- 263.63 g/mol
- Monoisotopic mass
- 263.0097688
Names & identifiers
- Preferred name
- (5-Chloro-2-nitrophenyl)-pyrimidin-4-ylmethanone
- IUPAC
- (5-chloro-2-nitrophenyl)-pyrimidin-4-ylmethanone
Names & synonyms
63860-32-2DTXSID801228681(5-Chloro-2-nitrophenyl)(pyrimidin-4-yl)methanoneMethanone, (5-chloro-2-nitrophenyl)-4-pyrimidinyl-
Database identifiers
- CAS
63860-32-2- PubChem CID
- 12377800
- DTXSID
DTXSID801228681
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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