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Home> Encyclopedia > Hot Product Listed 2   > 2H-1,4-Benzodiazepin-2-one,7-amino-5-(2-fluorophenyl)-1,3-dihydro-1-methyl-
32383-76-9 structure

2H-1,4-Benzodiazepin-2-one,7-amino-5-(2-fluorophenyl)-1,3-dihydro-1-methyl-

Iupac Name:(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
CAS No.:32383-76-9
Molecular Weight:270.284
Molecular Formula:C16H16O6 (isomer)
Names and Identifiers
Synonyms

(chloromethyl)(dimethyl)(pentadecyloxy)silane 2H-1,4-Benzodiazepin-2-one,7-amino-5-(o-fluorophenyl)-1,3-dihydro-1-methyl- (8CI) 7-amino flunitrazepam 7-Amino-1,3-dihydro-5-(2-fluorophenyl)-1-methyl-2H-1,4-benzodiazpin-2-one 7-amino-5-(2-fluorophenyl)-1,3-dihydro-1-methyl-2h-1,4-benzodiazepin-2-one 7-amino-5-(2-fluorophenyl)-1-methyl-3h-1,4-benzodiazepin-2-one 7-amino-5-(o-fluorophenyl)-1,3-dihydro-1-methyl-2h-1,4-benzodiazepin-2-one 7-aminoflunitrazepam 7-amino-flunitrazepam 7-aminoflunitrazepam 0.1 mg/ml in acetonitrile 7-aminoflunitrazepam solution, 100 mug/ml in acetonitrile, ampule of 1 ml, certified reference material AC1Q4OLF DTXSID40187682 Ro 20-1815 ro-20-1815 ZINC2569742

Inchi
InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1
InChkey
NSRJSISNDPOJOP-BBRMVZONSA-N
Canonical Smiles
COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O
Isomers Smiles
COC1=CC2=C(C=C1)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)O
Properties
Melting Point
127.5-128.5°
Boiling Point
437.6°Cat760mmHg
Refractive Index
1.629
Flash Point
232.3°C
Alpha
D22 -226° (chloroform)
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:270.284g/mol
  • Molecular Formula:C16H16O6
  • Compound Is Canonicalized:True
  • Exact Mass:270.089
  • Monoisotopic Mass:270.089
  • Complexity:360
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:47.9A^2
  • Heavy Atom Count:20
  • 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: AAADccB4OAAAAAAAAAAAAAAAAAAAASAAAAA0YIAAAAAAAEiRQAAAGgAACAAADRSgmAIyBoAABgCA AiBCAAACCAAgIAAIiAAGCIgMJyKGMRqCeCClwBUIuAfA4PwOoAAACAAIAABAAAAQABAAAAAAAAAA AA==
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