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Home> Encyclopedia > Hot Product Listed 6   > 6-Heptenoic acid,7-[4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxy-,(3R,5...
4790-19-6 structure

6-Heptenoic acid,7-[4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxy-,(3R,5S,6E)-rel-

Iupac Name:5,6-bis(phenylmethoxy)-1H-indole
CAS No.:4790-19-6
Molecular Weight:329.399
Molecular Formula:C20H24CLNO4 (isomer)
Names and Identifiers
Synonyms

6-Heptenoic acid,7-[4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxy-,[R*,S*-(E)]- 6-Heptenoicacid, 7-[4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxy-,[R*,S*-(E)]-(?à)- GR 92549

Inchi
InChI=1S/C22H19NO2/c1-3-7-17(8-4-1)15-24-21-13-19-11-12-23-20(19)14-22(21)25-16-18-9-5-2-6-10-18/h1-14,23H,15-16H2
InChkey
JEUGWNYIRZKHDS-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)COC2=C(C=C3C(=C2)C=CN3)OCC4=CC=CC=C4
Properties
Melting Point
114-115℃
Boiling Point
451.9ºC at 760 mmHg
Refractive Index
1.665
Flash Point
481.9°C
HS Code
2933990090
Safety and Handling
Risk Statements
37/38-41
Safety Statements
26-39
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:329.399g/mol
  • Molecular Formula:C20H24CLNO4
  • Compound Is Canonicalized:True
  • Exact Mass:329.142
  • Monoisotopic Mass:329.142
  • Complexity:390
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:34.2A^2
  • Heavy Atom Count:25
  • 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: AAADceB6MAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQAAAADAzhngY8xvLJlACg AzRnRACCiCAxIiAI2aA+7JgNJuLEsZuGOCrm0BnK6Aew0LMOIEABAgACQABAgAIEAASAAAAAAAAA AA==
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