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Substance Name: Metconazole [ISO]
RN: 125116-23-6
UNII: A2F791945Q
InChIKey: XWPZUHJBOLQNMN-UHFFFAOYSA-N

Molecular Formula

  • C13-H11-Cl-N2-O4-S

Molecular Weight

  • 319.834
 
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Names and Synonyms

Name of Substance

  • Metconazole [ISO]

Synonyms

  • Metconazole
  • UNII-A2F791945Q

Systematic Name

  • Cyclopentanol, 5-(4-chlorophenyl)methyl-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-

Registry Numbers

CAS Registry Number

  • 125116-23-6

FDA UNII

  • A2F791945Q

System Generated Number

  • 0125116236

Structure Descriptors

InChI

1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3

InChIKey

XWPZUHJBOLQNMN-UHFFFAOYSA-N

Smiles

c1cc(Cl)ccc1C[C@@H]1CCC(C)(C)[C@@]1(O)Cn1ncnc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 111.5 deg C   EXP
Boiling Point 285 deg C   EXP
log P (octanol-water) 3.85 (none)   EXP
Water Solubility 15 mg/L 20 EXP
Vapor Pressure 9.23E-08 mm Hg 20 EXP
Henry's Law Constant 2.59E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.59E-11 cm3/molecule-sec 25 EST

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