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Home> Encyclopedia > Hot Product Listed 5   > 5(4H)-Isoxazolone,4-[6-(1-methyl-4(1H)-pyridinylidene)-2,4-hexadien-1-ylidene]-3-phenyl-
946786-20-5 structure

5(4H)-Isoxazolone,4-[6-(1-methyl-4(1H)-pyridinylidene)-2,4-hexadien-1-ylidene]-3-phenyl-

Iupac Name:4-(4-fluorophenoxy)-2-methylaniline
CAS No.:946786-20-5
Molecular Weight:217.243
Molecular Formula:C16H15N (isomer)
Names and Identifiers
Synonyms

2-Isoxazolin-5-one,4-[6-(1-methyl-4(1H)-pyridylidene)-2,4-hexadienylidene]-3-phenyl- (8CI) 5(4H)-Isoxazolone,4-[6-(1-methyl-4(1H)-pyridinylidene)-2,4-hexadienylidene]-3-phenyl- (9CI) Merocyanine M 88

Inchi
InChI=1S/C13H12FNO/c1-9-8-12(6-7-13(9)15)16-11-4-2-10(14)3-5-11/h2-8H,15H2,1H3
InChkey
XGIQHJPZLVXVKD-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C=CC(=C1)OC2=CC=C(C=C2)F)N
Properties
Density
1.73
Boiling Point
783°Cat760mmHg
Flash Point
388.7°C
Computational chemical data
  • Molecular Weight:217.243g/mol
  • Molecular Formula:C16H15N
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.9
  • Exact Mass:217.09
  • Monoisotopic Mass:217.09
  • Complexity:216
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:35.2A^2
  • Heavy Atom Count:16
  • 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: AAADccByIQAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwAQAAAADAyBmAgyxoBABACA AiRCQACCCAAgIgAIiAAGbIgMJiKEsZuCOCDk0BEI6AewwBAOAEABAAACAAAAgAIAAAQAAAAAAAAA AA==
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