Substance Name: 1H-1,2,4-Triazole-1-ethanol, beta-(4-chlorophenoxy)-alpha-(1,1-dimethylethyl)-, (alphaR,betaR)-rel-
RN: 82200-72-4
InChIKey: BAZVSMNPJJMILC-OLZOCXBDSA-N

Molecular Weight

  • 295.768
2D chemical structure of 82200-72-4
 

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Names and Synonyms

  • 1H-1,2,4-Triazole-1-ethanol, beta-(4-chlorophenoxy)-alpha-(1,1-dimethylethyl)-, (alphaR,betaR)-rel-

Registry Numbers

CAS Registry Number

  • 82200-72-4

System Generated Number

  • 0082200724

Structure Descriptors

InChI

1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/t12-,13+/m1/s1

InChIKey

BAZVSMNPJJMILC-OLZOCXBDSA-N

Smiles

c1cc(Cl)ccc1O[C@H](n1ncnc1)[C@@H](O)C(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 133.5 deg C   EXP
log P (octanol-water) 3.28 (none)   EXP
Water Solubility 33 mg/L 20 EXP
Vapor Pressure 3.00E-09 mm Hg 20 EXP
Henry's Law Constant 3.54E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.18E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by Syracuse Research Corporation.
See all available property data for this compound, including references.