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Substance Name: (7-Chloro-3-prop-2-ynoxy-2H-1,4-benzoxazin-6-yl) pyrrolidine-1-carboxylate
RN: 143121-09-9
InChIKey: FRUMWYMNASJEQY-UHFFFAOYSA-N

Molecular Formula

  • C16-H15-Cl-N2-O4

Molecular Weight

  • 334.758
 
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Names and Synonyms

  • (7-Chloro-3-prop-2-ynoxy-2H-1,4-benzoxazin-6-yl) pyrrolidine-1-carboxylate

Registry Numbers

CAS Registry Number

  • 143121-09-9

System Generated Number

  • 0143121099

Structure Descriptors

InChI

1S/C16H15ClN2O4/c1-2-7-21-15-10-22-14-8-11(17)13(9-12(14)18-15)23-16(20)19-5-3-4-6-19/h1,8-9H,3-7,10H2

InChIKey

FRUMWYMNASJEQY-UHFFFAOYSA-N

Smiles

C1Oc2cc(Cl)c(OC(=O)N3CCCC3)cc2N=C1OCC#C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.93 (none)   EXP
Water Solubility 24.1 mg/L 25 EST
Vapor Pressure 5.21E-08 mm Hg 25 EST
Henry's Law Constant 6.12E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.04E-11 cm3/molecule-sec 25 EST

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