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Substance Name: Benzoic acid, 5-chloro-2-hydroxy-, methyl ester
RN: 4068-78-4
InChIKey: KJWHRMZKJXOWFC-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-Cl-O3

Molecular Weight

  • 186.593
 
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Names and Synonyms

Synonyms

  • EINECS 223-778-5
  • Methyl 5-chlorosalicylate
  • NSC 85495

Systematic Names

  • Benzoic acid, 5-chloro-2-hydroxy-, methyl ester
  • Methyl 5-chlorosalicylate
  • Salicylic acid, 5-chloro-, methyl ester (8CI)

Registry Numbers

CAS Registry Number

  • 4068-78-4

System Generated Number

  • 0004068784

Structure Descriptors

InChI

1S/C8H7ClO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3

InChIKey

KJWHRMZKJXOWFC-UHFFFAOYSA-N

Smiles

O=C(OC)c1c(O)ccc(Cl)c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 50 deg C   EXP
log P (octanol-water) 3.250 (none)   EST
Atmospheric OH Rate Constant 3.48E-12 cm3/molecule-sec 25 EST

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