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Substance Name: Fluororaclopride
RN: 124840-52-4
InChIKey: SUMSSRZHRHBCGI-VIFPVBQESA-N

Molecular Formula

  • C15-H19-Cl2-F-N2-O3

Molecular Weight

  • 365.2301
 
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Names and Synonyms

Name of Substance

  • Fluororaclopride

Synonyms

  • NCQ 258
  • S-3,5-Dichloro-6-methoxy-N-(1-(2-(F-18)-fluoroethyl)-2-pyrrolidinylmethyl)salicylamide

Registry Numbers

CAS Registry Number

  • 124840-52-4

System Generated Number

  • 0124840524

Structure Descriptors

InChI

1S/C15H19Cl2FN2O3/c1-23-14-11(17)7-10(16)13(21)12(14)15(22)19-8-9-3-2-5-20(9)6-4-18/h7,9,21H,2-6,8H2,1H3,(H,19,22)/t9-/m0/s1

InChIKey

SUMSSRZHRHBCGI-VIFPVBQESA-N

Smiles

c1(c(c(cc(c1O)Cl)Cl)OC)C(=O)NC[C@H]1N(CCC1)CCF

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.66 (none)   EXP
Water Solubility 14.3 mg/L 25 EST
Vapor Pressure 7.56E-11 mm Hg 25 EST
Henry's Law Constant 2.79E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.29E-11 cm3/molecule-sec 25 EST

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