Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 4   > 4(1H)-Quinazolinone, 8-methoxy-2-(trifluoromethyl)- (9CI)
21905-97-5 structure

4(1H)-Quinazolinone, 8-methoxy-2-(trifluoromethyl)- (9CI)

Iupac Name:3-(3-chlorophenyl)butan-2-one
CAS No.:21905-97-5
Molecular Weight:182.647g/mol
Molecular Formula:C10H14N2O2 (isomer)
Names and Identifiers
Synonyms

4 -quinazolinone,8-methoxy-2- - 4(1h)-quinazolinone, 8-methoxy-2-(trifluoromethyl)- (9ci) 8-methoxy-2-(trifluoromethyl)quinazolin-4(1h)-one AK351356 AKOS027347310 CTK8J8007

Inchi
InChI=1S/C10H11ClO/c1-7(8(2)12)9-4-3-5-10(11)6-9/h3-7H,1-2H3
InChkey
HSNZRSBKNMTPHB-UHFFFAOYSA-N
Canonical Smiles
CC(C1=CC(=CC=C1)Cl)C(=O)C
Computational chemical data
  • Molecular Weight:182.647g/molg/mol
  • Molecular Formula:C10H14N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:182.05
  • Monoisotopic Mass:182.05
  • Complexity:167
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBwIAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIAAAAADQaAmCAyAIAAAACI AqBSAAACAAAgBQAIiAEAAogIIDKBFxCAIAAggAAIiAcIiMCOgAAAIAAAAAAAAABAAAAAAAAAAAAA AA==
 
<