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Home> Hot Product Listed B   > Benzamide, 2-fluoro-6-hydroxy- (9CI)
75332-44-4 structure

Benzamide, 2-fluoro-6-hydroxy- (9CI)

Iupac Name:ethyl 3,4-diethoxybenzoate
CAS No.:75332-44-4
Molecular Weight:238.283
Molecular Formula:C17H21NO6 (isomer)
Names and Identifiers
Synonyms

2-fluoro-6-hydroxybenzamide BENZAMIDE, 2-FLUORO-6-HYDROXY- Benzamide, 2-fluoro-6-hydroxy- (9CI)

Inchi
InChI=1S/C13H18O4/c1-4-15-11-8-7-10(13(14)17-6-3)9-12(11)16-5-2/h7-9H,4-6H2,1-3H3
InChkey
UWWIFSJMLYCVGX-UHFFFAOYSA-N
Canonical Smiles
CCOC1=C(C=C(C=C1)C(=O)OCC)OCC
Properties
Melting Point
54-58 °C(lit.)
Boiling Point
263.7°C at 760 mmHg
Refractive Index
1.492
Safety and Handling
Safety Statements
WGK Germany 3
Computational chemical data
  • Molecular Weight:238.283g/mol
  • Molecular Formula:C17H21NO6
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.1
  • Exact Mass:238.121
  • Monoisotopic Mass:238.121
  • Complexity:230
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:17
  • 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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