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Home> Encyclopedia > Hot Product Listed 5   > 5-Isoxazolecarboxylicacid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester
478247-00-6 structure

5-Isoxazolecarboxylicacid, 3-methyl-, (5-fluoro-3-pyridinyl)methyl ester

Iupac Name:5-[(3-bromophenyl)methylidene]thieno[2,3-b]thiopyran-4-one
CAS No.:478247-00-6
Molecular Weight:337.249
Molecular Formula:C48H66N2O5 (isomer)
Names and Identifiers
Synonyms

(5-fluoro-3-pyridinyl)methyl 3-methyl-5-isoxazolecarboxylate (5-fluoropyridin-3-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate 3-Pyridinemethanol,5-fluoro-, 3-methyl-5-isoxazolecarboxylate (ester) (8CI) 5-isoxazolecarboxylic acid 3-methyl-,(5-fluoro-pyridin-3-yl)methyl ester 5-Isoxazolecarboxylicacid, 3-methyl-, (5-fluoro-3-pyridyl)methyl ester (8CI) AC1L4RMG AKOS030567102 brn 0533031 DTXSID90178227 HE147784

Inchi
InChI=1S/C14H9BrOS2/c15-11-3-1-2-9(7-11)6-10-8-18-14-12(13(10)16)4-5-17-14/h1-7H,8H2
InChkey
QKPWTEZXHITEDD-UHFFFAOYSA-N
Canonical Smiles
C1C(=CC2=CC(=CC=C2)Br)C(=O)C3=C(S1)SC=C3
Properties
Density
1.45
Boiling Point
477.9°Cat760mmHg
Flash Point
172.7°C
Computational chemical data
  • Molecular Weight:337.249g/mol
  • Molecular Formula:C48H66N2O5
  • Compound Is Canonicalized:True
  • Exact Mass:335.928
  • Monoisotopic Mass:335.928
  • Complexity:369
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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