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Substance Name: Fenitropan [BSI:ISO]
RN: 65934-95-4
InChIKey: AYBALPYBYZFKDS-OLZOCXBDSA-N

Molecular Formula

  • C13-H15-N-O6

Molecular Weight

  • 281.263
 
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Names and Synonyms

Name of Substance

  • Fenitropan [BSI:ISO]

Synonyms

  • (1RS,2RS)-2-Nitro-1-phenyltrimethylene di(acetate)
  • Fenitropan
  • Fenitropane
  • Fenitropane [ISO-French]

Systematic Name

  • 1,3-Propanediol, 2-nitro-1-phenyl-, diacetate (ester), (R*,S*)-

Registry Numbers

CAS Registry Number

  • 65934-95-4

System Generated Number

  • 0065934954

Structure Descriptors

InChI

1S/C13H15NO6/c1-9(15)19-8-12(14(17)18)13(20-10(2)16)11-6-4-3-5-7-11/h3-7,12-13H,8H2,1-2H3/t12-,13+/m1/s1

InChIKey

AYBALPYBYZFKDS-OLZOCXBDSA-N

Smiles

c1ccccc1[C@H](OC(=O)C)[C@H]([N+]([O-])=O)COC(=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 70 deg C   EXP
log P (octanol-water) 1.590 (none)   EST
Water Solubility 30 mg/L 20 EXP
Atmospheric OH Rate Constant 5.48E-12 cm3/molecule-sec 25 EST

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