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Substance Name: 1,2-Benzenedicarboxylic acid, 1-(1-(4-bromophenyl)ethyl) ester
RN: 125247-02-1
InChIKey: CEKNALRTJUZIBB-UHFFFAOYSA-N

Molecular Formula

  • C16-H13-Br-O4

Molecular Weight

  • 349.1787
 
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Names and Synonyms

  • 1,2-Benzenedicarboxylic acid, 1-(1-(4-bromophenyl)ethyl) ester

Registry Numbers

CAS Registry Number

  • 125247-02-1

Other Registry Number

  • 92387-49-0

System Generated Number

  • 0125247021

Structure Descriptors

InChI

1S/C16H13BrO4/c1-10(11-6-8-12(17)9-7-11)21-16(20)14-5-3-2-4-13(14)15(18)19/h2-10H,1H3,(H,18,19)

InChIKey

CEKNALRTJUZIBB-UHFFFAOYSA-N

Smiles

CC(OC(=O)c1ccccc1C(=O)O)c2ccc(Br)cc2

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.380 (none)   EST
Water Solubility 1.130 mg/L 25 EST
Vapor Pressure 2.53E-08 mm Hg 25 EST
Henry's Law Constant 2.98E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.75E-12 cm3/molecule-sec 25 EST

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