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Substance Name: Metobenzuron [ISO]
RN: 111578-32-6
UNII: R83UUH7Q8C
InChIKey: BXKKQFGRMSOANI-UHFFFAOYSA-N

Molecular Formula

  • C22-H28-N2-O5

Molecular Weight

  • 400.4722
 
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Names and Synonyms

Name of Substance

  • Metobenzuron [ISO]

Synonyms

  • Metobenzuron
  • UNII-R83UUH7Q8C

Systematic Names

  • (RS)-1-methoxy-3-(4-(2-methoxy-2,4,4-trimethylchroman-7-yloxy)phenyl)-1-methylurea
  • N'-(4-((3,4-dihydro-2-methoxy-2,4,4-trimethyl-2H-1-benzopyran-7-yl)oxy)phenyl)-N-methoxy-N-methylurea
  • Urea, N'-(4-((3,4-dihydro-2-methoxy-2,4,4-trimethyl-2H-1-benzopyran-7-yl)oxy)phenyl)-N-methoxy-N-methyl-

Registry Numbers

CAS Registry Number

  • 111578-32-6

FDA UNII

  • R83UUH7Q8C

System Generated Number

  • 0111578326

Structure Descriptors

InChI

1S/C22H28N2O5/c1-21(2)14-22(3,26-5)29-19-13-17(11-12-18(19)21)28-16-9-7-15(8-10-16)23-20(25)24(4)27-6/h7-13H,14H2,1-6H3,(H,23,25)

InChIKey

BXKKQFGRMSOANI-UHFFFAOYSA-N

Smiles

CON(C)C(=O)Nc1ccc(Oc2ccc3c(OC(C)(CC3(C)C)OC)c2)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 102 deg C   EXP
log P (octanol-water) 6.380 (none)   EST
Water Solubility 0.4 mg/L 25 EXP
Vapor Pressure 1.85E-05 mm Hg 22 EXP
Atmospheric OH Rate Constant 1.15E-10 cm3/molecule-sec 25 EST

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