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Substance Name: Methyl 2-nitroimidazole-1-acetate
RN: 22813-31-6
InChIKey: KXEHVMQCOHOQHB-UHFFFAOYSA-N

Molecular Formula

  • C6-H7-N3-O4

Molecular Weight

  • 185.1383
 
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Names and Synonyms

Synonym

  • EINECS 245-243-5

Systematic Name

  • Methyl 2-nitroimidazole-1-acetate

Registry Numbers

CAS Registry Number

  • 22813-31-6

System Generated Number

  • 0022813316

Structure Descriptors

InChI

1S/C6H7N3O4/c1-13-5(10)4-8-3-2-7-6(8)9(11)12/h2-3H,4H2,1H3

InChIKey

KXEHVMQCOHOQHB-UHFFFAOYSA-N

Smiles

COC(=O)Cn1ccnc1[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 95-97 deg C   EXP
log P (octanol-water) -0.09 (none)   EXP
Water Solubility 2.53E+04 mg/L 25 EST
Vapor Pressure 2.60E-05 mm Hg 25 EST
Henry's Law Constant 7.53E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.01E-12 cm3/molecule-sec 25 EST

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