Basic information
- Standard SMILES
O=C(Cl)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])o1- InChIKey
JSFUFEDKVPFDHB-UHFFFAOYSA-N- Molecular formula
- C14H8ClN3O4
- Average molar mass
- 317.68 g/mol
- Monoisotopic mass
- 317.02033342
Names & identifiers
- Preferred name
- 3-(5-Nitrofuran-2-yl)-1-phenyl-1H-pyrazole-4-carbonyl chloride
- IUPAC
- 3-(5-nitrofuran-2-yl)-1-phenylpyrazole-4-carbonyl chloride
Names & synonyms
61620-97-1SCHEMBL11606745DTXSID80605370JSFUFEDKVPFDHB-UHFFFAOYSA-N3-(5-Nitrofuran-2-yl)-1-phenyl-1H-pyrazole-4-carbonyl chloride3-(5-nitro-2-furyl)-1-phenylpyrazole-4-carboxylic chloride3-(5-nitro-2-furyl)-1-phenylpyrazole-4-carboxylic acid chloride
Database identifiers
- CAS
61620-97-1- PubChem CID
- 20325933
- DTXSID
DTXSID80605370
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 438
Related reactions
8 records
Linked notes
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