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Home> Hot Product Listed M   > MOLPORT-007-404-895
50646-98-5 structure

MOLPORT-007-404-895

CAS No.:50646-98-5
Molecular Weight:92.13842
Molecular Formula:C21H21N3O2 (isomer)
Names and Identifiers
Synonyms

MCULE-8249257512 n-(2-tert-butyl-1,3-benzoxazol-5-yl)-5,7-dimethoxy-1h-indole-2-carboxamide T6659853 Z367297914 ZINC43773525

Inchi
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
Canonical Smiles
CC1=CC=CC=C1
Properties
Melting Point
-94.9 deg C
Computational chemical data
  • Molecular Weight:92.13842g/mol
  • Molecular Formula:C21H21N3O2
  • XLogP3-AA:2.7
  • Exact Mass:92.0626
  • Monoisotopic Mass:92.0626
  • Complexity:42
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:7
  • 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
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Recommended Suppliers
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