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Home> Hot Product Listed 1   > 1-Cyclopropyl-7-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
1261472-63-2 structure

1-Cyclopropyl-7-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Iupac Name:3-chloro-4,5-difluorophenol
CAS No.:1261472-63-2
Molecular Weight:164.536
Molecular Formula:C12H12F2O4 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C6H3ClF2O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
InChkey
BEZZBNYGPCGUKO-UHFFFAOYSA-N
Canonical Smiles
C1=C(C=C(C(=C1F)F)Cl)O
Properties
Density
1.352
Boiling Point
462.5 °C at 760 mmHg
Flash Point
252.714°C
Computational chemical data
  • Molecular Weight:164.536g/mol
  • Molecular Formula:C12H12F2O4
  • Compound Is Canonicalized:True
  • Exact Mass:163.984
  • Monoisotopic Mass:163.984
  • Complexity:122
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:20.2A^2
  • Heavy Atom Count:10
  • 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: AAADcQBgIYAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGwIACAAACAaAkCgwBoAAAgCA ACBCAAACAAAgJQAAiAAGCogIJiKDExKAcAAkwBEImAeAQAAAAAAAAQAAAAAAAAACAAAAAAAAAAAA AA==
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