Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 1   > 1-(4-nitro)-benzoyl-5-ethoxy-pyrrolidin-2-one
932373-91-6 structure

1-(4-nitro)-benzoyl-5-ethoxy-pyrrolidin-2-one

Iupac Name:2-(3,5-difluoro-4-nitrophenyl)acetic acid
CAS No.:932373-91-6
Molecular Weight:217.128
Molecular Formula:C9H8O4 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C8H5F2NO4/c9-5-1-4(3-7(12)13)2-6(10)8(5)11(14)15/h1-2H,3H2,(H,12,13)
InChkey
XGLFBUVWWKDQKP-UHFFFAOYSA-N
Canonical Smiles
C1=C(C=C(C(=C1F)[N+](=O)[O-])F)CC(=O)O
Isomers Smiles
C1=C(C=C(C(=C1F)[N+](=O)[O-])F)CC(=O)O
Properties
Boiling Point
652.9°Cat760mmHg
Flash Point
184.2°C
Computational chemical data
  • Molecular Weight:217.128g/mol
  • Molecular Formula:C9H8O4
  • Compound Is Canonicalized:True
  • Exact Mass:217.019
  • Monoisotopic Mass:217.019
  • Complexity:256
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:83.1A^2
  • Heavy Atom Count:15
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcYByOYAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHwAECAAADAiBmAgwyIAQQgCJ AiTSSwCCAAAgAAAgiAEARIoIIDKAlZGAYABkwAEIyAeYyKCOCAAAAAAAAAAQAAAAAAAAAAAAAAAA AA==
 
<