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Substance Name: alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester
RN: 56656-97-4
InChIKey: SEPZDRVJHMRNPK-GQCTYLIASA-N

Molecular Weight

  • 256.054
 
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Names and Synonyms

Synonyms

  • 3-(5-Bromo-2-furyl)-2-methoxycarbonylacrylonitrile
  • CCRIS 5657

Systematic Name

  • alpha-Cyano-5-bromo-2-furanacrylic acid, methyl ester

Registry Numbers

CAS Registry Number

  • 56656-97-4

System Generated Number

  • 0056656974

Structure Descriptors

InChI

1S/C9H6BrNO3/c1-13-9(12)6(5-11)4-7-2-3-8(10)14-7/h2-4H,1H3/b6-4+

InChIKey

SEPZDRVJHMRNPK-GQCTYLIASA-N

Smiles

o1c(Br)ccc1\C=C(/C#N)C(=O)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.41 (none)   EXP
Water Solubility 104 mg/L 25 EST
Vapor Pressure 9.24E-05 mm Hg 25 EST
Henry's Law Constant 3.67E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.91E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.