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Home> Hot Product Listed M   > MLS000763515
885473-84-7 structure

MLS000763515

Iupac Name:2-fluoro-4-(4-hydroxyphenyl)phenol
CAS No.:885473-84-7
Molecular Weight:204.2g/mol
Molecular Formula:C25H24N6 (isomer)
Names and Identifiers
Synonyms

11X-0833 AKOS005079468 CHEMBL1412906 HMS2725B24 methyl 2-{4-[(6-chloro-3-pyridinyl)methoxy]phenyl}acetate methyl 2-{4-[(6-chloropyridin-3-yl)methoxy]phenyl}acetate MOLPORT-002-855-893 smr000336864 ZINC4051292

Inchi
InChI=1S/C12H9FO2/c13-11-7-9(3-6-12(11)15)8-1-4-10(14)5-2-8/h1-7,14-15H
InChkey
QVQNAAFDYYJACI-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C2=CC(=C(C=C2)O)F)O
Computational chemical data
  • Molecular Weight:204.2g/molg/mol
  • Molecular Formula:C25H24N6
  • Compound Is Canonicalized:True
  • Exact Mass:204.059
  • Monoisotopic Mass:204.059
  • Complexity:202
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:15
  • 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: AAADccBwMQAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGwAACAAADASAmAgwBoAAAgCA AiBCAAACAAAgIAAIiAAGCIgIJiKCERKAcAAkwBEImAeAwPAOoAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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