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Home> Hot Product Listed 3   > [(3-fluorophenyl)methyl][1-(4-fluorophenyl)propyl]amine hydrochloride
64267-12-5 structure

[(3-fluorophenyl)methyl][1-(4-fluorophenyl)propyl]amine hydrochloride

Iupac Name:3-benzoyl-7-methoxychromen-2-one
CAS No.:64267-12-5
Molecular Weight:280.279
Molecular Formula:C20H21NO5S (isomer)
Names and Identifiers
Synonyms

AC1Q39N8 AKOS016905647 BG00630549 EN300-45143 MCULE-4011960583 MOLPORT-009-287-361 NE21535 Z538986608

Inchi
InChI=1S/C17H12O4/c1-20-13-8-7-12-9-14(17(19)21-15(12)10-13)16(18)11-5-3-2-4-6-11/h2-10H,1H3
InChkey
HYORIVUCOQKMOC-UHFFFAOYSA-N
Canonical Smiles
COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC=CC=C3
Properties
Melting Point
150-153 °C
Refractive Index
1.621
Safety and Handling
Safety Statements
S22;S24/25
Computational chemical data
  • Molecular Weight:280.279g/mol
  • Molecular Formula:C20H21NO5S
  • Compound Is Canonicalized:True
  • Exact Mass:280.074
  • Monoisotopic Mass:280.074
  • Complexity:448
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6A^2
  • Heavy Atom Count:21
  • 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: AAADccB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAAAAAADASAmAIyDoAABACI AqDSCAACCAAkIAAIiAEGCMgMJzaMNRqCOyCl4BUIqYeI6KyOIAAACAAIAABAAAAQABAAAAAAAAAA AA==
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