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Home> Encyclopedia > Hot Product Listed 5   > 5-Pyrimidinecarboxylicacid, 1-(aminocarbonyl)-6-(3-chlorophenyl)-1,2,3,6-tetrahydro-4-methyl-2-oxo-,...
1307803-48-0 structure

5-Pyrimidinecarboxylicacid, 1-(aminocarbonyl)-6-(3-chlorophenyl)-1,2,3,6-tetrahydro-4-methyl-2-oxo-,1-methylethyl ester

Iupac Name:(1-butyl-6-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
CAS No.:1307803-48-0
Molecular Weight:343.426
Molecular Formula:C8H9N2NAO3S (isomer)
Names and Identifiers
Synonyms

5-pyrimidinecarboxylic acid, 1-(aminocarbonyl)-6-(3-chlorophenyl)-1,2,3,6-tetrahydro-4-methyl-2-oxo-, 1-methylethyl ester Reaxys ID: 4270421 SQ 32926

Inchi
InChI=1S/C23H21NO2/c1-2-3-13-24-15-21(19-12-11-17(25)14-22(19)24)23(26)20-10-6-8-16-7-4-5-9-18(16)20/h4-12,14-15,25H,2-3,13H2,1H3
InChkey
MDXHTLBJLOYLRK-UHFFFAOYSA-N
Canonical Smiles
CCCCN1C=C(C2=C1C=C(C=C2)O)C(=O)C3=CC=CC4=CC=CC=C43
Properties
Density
1.434
Boiling Point
°Cat760mmHg
Flash Point
340.7 639.7 ºC at 760 mmHg
Computational chemical data
  • Molecular Weight:343.426g/mol
  • Molecular Formula:C8H9N2NAO3S
  • Compound Is Canonicalized:True
  • Exact Mass:343.157
  • Monoisotopic Mass:343.157
  • Complexity:493
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:26
  • 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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