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Home> Hot Product Listed 4   > 4-bromo-9-methoxy-7H-furo[3,2-g]chromen-7-one
22245-86-9 structure

4-bromo-9-methoxy-7H-furo[3,2-g]chromen-7-one

Iupac Name:5-(trifluoromethyl)pyridine-2-carboxamide
CAS No.:22245-86-9
Molecular Weight:190.125
Molecular Formula:C16H10 (isomer)
Names and Identifiers
Synonyms

4-bromo-9-methoxyfuro[3,2-g]chromen-7-one 5-bromo-8-methoxypsoralen AC1L64C2 AC1Q6AY4 AKOS030548574 AR-1G1260 CHEMBL1288999 CTK4E1152 DTXSID60286464 LQDFTMLCQBZFKE-UHFFFAOYSA-N nsc45921 nsc-45921 SCHEMBL4187228 ZINC1677689

Inchi
InChI=1S/C7H5F3N2O/c8-7(9,10)4-1-2-5(6(11)13)12-3-4/h1-3H,(H2,11,13)
InChkey
JUNJVRHWOHOSKU-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=NC=C1C(F)(F)F)C(=O)N
Properties
Density
1.309
Boiling Point
557.1°C at 760 mmHg
Flash Point
206.5°C
Computational chemical data
  • Molecular Weight:190.125g/mol
  • Molecular Formula:C16H10
  • Compound Is Canonicalized:True
  • Exact Mass:190.035
  • Monoisotopic Mass:190.035
  • Complexity:204
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:56A^2
  • Heavy Atom Count:13
  • 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: AAADcYBjIYAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHwAQAAAADAjBnhQ8gJJIEACo AzV3VACCgCA3AiAI2CG4ZNgIYPLAlbGUIQhggADIyYcYCAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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