3-(5-Nitrofuran-2-yl)-1-phenyl-1H-pyrazole-4-carbonyl chloride

HCID 20325933CAS 61620-97-1

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

Related reactions

8 records

Linked notes

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