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Home> Encyclopedia > Hot Product Listed 6   > 6H-Purin-6-one,1,9-dihydro-2-[(3-propylphenyl)amino]-
936497-82-4 structure

6H-Purin-6-one,1,9-dihydro-2-[(3-propylphenyl)amino]-

Iupac Name:8-bromo-4-chloroquinoline-3-carbonitrile
CAS No.:936497-82-4
Molecular Weight:267.51
Molecular Formula:C12H16N2O5 (isomer)
Names and Identifiers
Synonyms

6H-Purin-6-one,1,7-dihydro-2-[(3-propylphenyl)amino]- (9CI)

Inchi
InChI=1S/C10H4BrClN2/c11-8-3-1-2-7-9(12)6(4-13)5-14-10(7)8/h1-3,5H
InChkey
QHLROYHGQHENCI-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C(=CN=C2C(=C1)Br)C#N)Cl
Properties
Boiling Point
°Cat760mmHg
Flash Point
357.3°C
Computational chemical data
  • Molecular Weight:267.51g/mol
  • Molecular Formula:C12H16N2O5
  • Compound Is Canonicalized:True
  • Exact Mass:265.925
  • Monoisotopic Mass:265.925
  • Complexity:262
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:36.7A^2
  • Heavy Atom Count:14
  • 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: AAADcYBzAAAEEAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHAJAAAABrArBHiQ8wPIIEACw BzRnRACigCAxBCQI2CAoRrgIoOLBk5GEIAhggADIyh8QgMAOAAAAEAACAAgAAAAgAAQAEAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-21-33758180
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