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Home> Encyclopedia > Hot Product Listed 2   > 2-Pyrrolidinol,1-(2-chloro-3-hydroxyphenyl)-
163629-05-8 structure

2-Pyrrolidinol,1-(2-chloro-3-hydroxyphenyl)-

Iupac Name:N-(2-methylpropyl)-2-(2-phenylindol-1-yl)acetamide
CAS No.:163629-05-8
Molecular Weight:306.409
Molecular Formula:C13H14CLNO5 (isomer)
Names and Identifiers
Synonyms

1-(2-chloro-3-hydroxyphenyl)-2-pyrrolidinol 2-Pyrrolidinol, 1-(2-chloro-3-hydroxyphenyl)- DB-079324 SCHEMBL2934910

Inchi
InChI=1S/C20H22N2O/c1-15(2)13-21-20(23)14-22-18-11-7-6-10-17(18)12-19(22)16-8-4-3-5-9-16/h3-12,15H,13-14H2,1-2H3,(H,21,23)
InChkey
UZAUBYOACBZTEI-UHFFFAOYSA-N
Canonical Smiles
CC(C)CNC(=O)CN1C2=CC=CC=C2C=C1C3=CC=CC=C3
Properties
Boiling Point
363.6ºC at 760 mmHg
Vapour
7.25E-12mmHg at 25°C
Refractive Index
1.59
Computational chemical data
  • Molecular Weight:306.409g/mol
  • Molecular Formula:C13H14CLNO5
  • Compound Is Canonicalized:True
  • Exact Mass:306.173
  • Monoisotopic Mass:306.173
  • Complexity:389
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Heavy Atom Count:23
  • 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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