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Substance Name: 4-Bromomisonidazole
RN: 83200-90-2
InChIKey: LCTAABLXXZRHCO-UHFFFAOYSA-N

Molecular Weight

  • 280.077
 
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Names and Synonyms

Name of Substance

  • 4-Bromomisonidazole

Systematic Name

  • 1H-Imidazole-1-ethanol, 4-bromo-alpha-(methoxymethyl)-2-nitro-

Registry Numbers

CAS Registry Number

  • 83200-90-2

System Generated Number

  • 0083200902

Structure Descriptors

InChI

1S/C7H10BrN3O4/c1-15-4-5(12)2-10-3-6(8)9-7(10)11(13)14/h3,5,12H,2,4H2,1H3

InChIKey

LCTAABLXXZRHCO-UHFFFAOYSA-N

Smiles

COCC(O)Cn1cc(Br)nc1[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.46 (none)   EXP
Water Solubility 2640 mg/L 25 EST
Vapor Pressure 6.56E-09 mm Hg 25 EST
Henry's Law Constant 9.50E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.22E-11 cm3/molecule-sec 25 EST

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