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Substance Name: 4-(Chloromethyl)benzoic acid
RN: 1642-81-5
InChIKey: OITNBJHJJGMFBN-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-Cl-O2

Molecular Weight

  • 170.594
 
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Names and Synonyms

Synonym

  • EINECS 216-697-1

Systematic Name

  • 4-(Chloromethyl)benzoic acid

Registry Numbers

CAS Registry Number

  • 1642-81-5

System Generated Number

  • 0001642815

Structure Descriptors

InChI

1S/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

OITNBJHJJGMFBN-UHFFFAOYSA-N

Smiles

C(c1ccc(cc1)CCl)(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.12 (none)   EXP
Atmospheric OH Rate Constant 1.62E-12 cm3/molecule-sec 25 EST

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