Basic information
- Standard SMILES
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1-n1nc(CCl)cc1CCl- InChIKey
ZDAFMRWCDLSRQN-UHFFFAOYSA-N- Molecular formula
- C18H13Cl2N3O3
- Average molar mass
- 390.2 g/mol
- Monoisotopic mass
- 389.0333967
Names & identifiers
- Preferred name
- [2-[3,5-Bis(chloromethyl)pyrazol-1-yl]-5-nitrophenyl]-phenylmethanone
- IUPAC
- [2-[3,5-bis(chloromethyl)pyrazol-1-yl]-5-nitrophenyl]-phenylmethanone
Names & synonyms
SCHEMBL11527615ZDAFMRWCDLSRQN-UHFFFAOYSA-N[2-[3,5-bis(chloromethyl)pyrazol-1-yl]-5-nitrophenyl]-phenylmethanone
Database identifiers
- PubChem CID
- 12377538
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 510
Related reactions
3 records
Compound notes
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