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Home> Encyclopedia > Hot Product Listed 6   > 6-Quinoxalinecarboxylicacid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester
865658-74-8 structure

6-Quinoxalinecarboxylicacid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester

Iupac Name:1-(2-amino-1,2-dicyanoethenyl)-3-(4-chlorophenyl)urea
CAS No.:865658-74-8
Molecular Weight:261.669
Molecular Formula:C12H7CLF3NO2 (isomer)
Names and Identifiers
Synonyms

AKOS015958741 DA-40886 F9995-1153 FT-0748542 HLSJOMYBTGFJQQ-UHFFFAOYSA-N MCULE-9465799582 methyl 2-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylate methyl 2-oxo-3,4-dihydro-1h-quinoxaline-6-carboxylate MOLPORT-006-827-070 NE51152 SCHEMBL5009654 Z1649677750 ZINC45202067

Inchi
InChI=1S/C11H8ClN5O/c12-7-1-3-8(4-2-7)16-11(18)17-10(6-14)9(15)5-13/h1-4H,15H2,(H2,16,17,18)
InChkey
JFUPPGJOKIIZBR-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1NC(=O)NC(=C(C#N)N)C#N)Cl
Properties
Density
1.559
Boiling Point
311.6 °C at 760 mmHg
Flash Point
153.1°C
Computational chemical data
  • Molecular Weight:261.669g/mol
  • Molecular Formula:C12H7CLF3NO2
  • Compound Is Canonicalized:True
  • Exact Mass:261.042
  • Monoisotopic Mass:261.042
  • Complexity:447
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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