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Home> Encyclopedia > Hot Product Listed 2   > 2H-1,4-Benzoxazine-6-carboxylicacid, 2-cyano-3,4-dihydro-, methyl ester
956184-23-9 structure

2H-1,4-Benzoxazine-6-carboxylicacid, 2-cyano-3,4-dihydro-, methyl ester

Iupac Name:4-chloro-N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzamide
CAS No.:956184-23-9
Molecular Weight:458.262
Molecular Formula:C11H9NO2 (isomer)
Names and Identifiers
Synonyms

METHYL 2-CYANO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLATE

Inchi
InChI=1S/C20H16Cl2F3N3O2/c1-27-18(22)16(17(26-27)20(23,24)25)11-28(14-7-9-15(30-2)10-8-14)19(29)12-3-5-13(21)6-4-12/h3-10H,11H2,1-2H3
InChkey
ZSZPIOMFHVSIGB-UHFFFAOYSA-N
Canonical Smiles
CN1C(=C(C(=N1)C(F)(F)F)CN(C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)Cl
Properties
Density
0.901
Computational chemical data
  • Molecular Weight:458.262g/mol
  • Molecular Formula:C11H9NO2
  • Compound Is Canonicalized:True
  • Exact Mass:457.057
  • Monoisotopic Mass:457.057
  • Complexity:582
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Heavy Atom Count:30
  • 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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