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Home> Encyclopedia > Hot Product Listed 1   > 1H-2-Benzopyran-3-methanamine,7-fluoro-3,4-dihydro-1-phenyl-, (1R,3R)-rel-
34887-52-0 structure

1H-2-Benzopyran-3-methanamine,7-fluoro-3,4-dihydro-1-phenyl-, (1R,3R)-rel-

Iupac Name:[(1S,3S)-7-fluoro-1-phenyl-3,4-dihydro-1H-isochromen-3-yl]methanamine
CAS No.:34887-52-0
Molecular Weight:257.308
Molecular Formula:C16H16FNO (isomer)
Names and Identifiers
Synonyms

(1r,3r)-7-fluoro-n-methyl-1-phenyl-3,4-dihydro-1h-isochromen (1s)-7-fluoro-1alpha-phenyl-3,4-dihydro-1h-2-benzopyran-3alpha-methanamine 1H-2-Benzopyran-3-methanamine,7-fluoro-3,4-dihydro-1-phenyl-, cis- Fenisorex R 800 R 800 (pharmaceutical)

Inchi
InChI=1S/C16H16FNO/c17-13-7-6-12-8-14(10-18)19-16(15(12)9-13)11-4-2-1-3-5-11/h1-7,9,14,16H,8,10,18H2/t14-,16-/m0/s1
InChkey
AFYFIUCXBSVQSE-HOCLYGCPSA-N
Canonical Smiles
C1C(OC(C2=C1C=CC(=C2)F)C3=CC=CC=C3)CN
Isomers Smiles
CN[C@H]1CC2=C(C=C(C=C2)F)[C@H](O1)C3=CC=CC=C3
Properties
Density
1.18
Boiling Point
365.2°Cat760mmHg
Refractive Index
1.593
Flash Point
174.7°C
Computational chemical data
  • Molecular Weight:257.308g/mol
  • Molecular Formula:C16H16FNO
  • Compound Is Canonicalized:True
  • Exact Mass:257.122
  • Monoisotopic Mass:257.122
  • Complexity:293
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:35.2A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:2
  • 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: AAADceB6IQAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACRQAAAHwAQAAAADBThmA4wAIBABACA AiBCAAACAAAgAAAIiIAACIgKJiKAsRiDMAAk0AEIqAeQwOAOgAAAAAAQAAAAAAAAACAAAAAAAAAA AA==
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