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Substance Name: 2-Chloro-6-nitrobenzoic acid
RN: 5344-49-0
InChIKey: JYHOMEFOTKWQPN-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-Cl-N-O4

Molecular Weight

  • 201.565
 
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Names and Synonyms

Synonym

  • EINECS 226-287-4

Systematic Name

  • 2-Chloro-6-nitrobenzoic acid

Registry Numbers

CAS Registry Number

  • 5344-49-0

System Generated Number

  • 0005344490

Structure Descriptors

InChI

1S/C7H4ClNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)

InChIKey

JYHOMEFOTKWQPN-UHFFFAOYSA-N

Smiles

OC(=O)c1c(Cl)cccc1[N+]([O-])=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 1.34 (none) 25 EXP
log P (octanol-water) 1.56 (none)   EXP
Water Solubility 814 mg/L 25 EST
Vapor Pressure 1.89E-05 mm Hg 25 EST
Henry's Law Constant 3.17E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.64E-13 cm3/molecule-sec 25 EST

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