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Home> Hot Product Listed Z   > Zonyl
5504-65-4 structure

Zonyl

Iupac Name:5-phenyl-1H-pyrazole-4-carboxylic acid
CAS No.:5504-65-4
Molecular Weight:188.186
Molecular Formula:C9H6N4O4S (isomer)
Names and Identifiers
Synonyms

ZONYL FLUOROSURFACTANT FSC

Inchi
InChI=1S/C10H8N2O2/c13-10(14)8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChkey
LGTJKUYVFSBOMC-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C2=C(C=NN2)C(=O)O
Properties
Melting Point
278 °C (dec.)(lit.)
Refractive Index
1.645
Safety and Handling
Safety Statements
22-24/25
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 5504-65-4 EC: Zonyl ·ECHA C&L Inventory for CAS: CAS: 5504-65-4 EC: Zonyl
Computational chemical data
  • Molecular Weight:188.186g/mol
  • Molecular Formula:C9H6N4O4S
  • Compound Is Canonicalized:True
  • Exact Mass:188.059
  • Monoisotopic Mass:188.059
  • Complexity:214
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:66A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgAYCAAADAjBngQ8iJBjAgCq AzT3SACSBAAkgAAYuSEgTNgIJrqA0dGA9YBmiAAI2ceYyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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