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Substance Name: Butanoic acid, 2-bromo-, methyl ester
RN: 3196-15-4
InChIKey: UFQQDNMQADCHGH-UHFFFAOYSA-N

Molecular Formula

  • C5-H9-Br-O2

Molecular Weight

  • 181.028
 
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Names and Synonyms

Synonyms

  • EINECS 221-699-0
  • Methyl 2-bromobutanoate
  • Methyl 2-bromobutyrate
  • NSC 21974

Systematic Names

  • Butanoic acid, 2-bromo-, methyl ester
  • Methyl 2-bromobutyrate

Registry Numbers

CAS Registry Number

  • 3196-15-4

Other Registry Number

  • 69043-96-5

System Generated Number

  • 0003196154

Structure Descriptors

InChI

1S/C5H9BrO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H3

InChIKey

UFQQDNMQADCHGH-UHFFFAOYSA-N

Smiles

C(=O)([C@@H](Br)CC)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 168 deg C   EXP
log P (octanol-water) 1.630 (none)   EST
Atmospheric OH Rate Constant 9.40E-13 cm3/molecule-sec 25 EST

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