Brallobarbital

CAS Registry Number®

561-86-4
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CAS Name

Brallobarbital

Molecular Formula

C10H11BrN2O3

Molecular Mass

287.11

Cite this Page

Brallobarbital.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=561-86-4 (retrieved 2024-04-19) (CAS RN: 561-86-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    168.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C10H11BrN2O3/c1-3-4-10(5-6(2)11)7(14)12-9(16)13-8(10)15/h3H,1-2,4-5H2,(H2,12,13,14,15,16)

InChIKey

InChIKey=DYODAJAEQDVYFX-UHFFFAOYSA-N

SMILES

C(C(Br)=C)C1(CC=C)C(=O)NC(=O)NC1=O

Canonical SMILES

O=C1NC(=O)C(C(=O)N1)(CC=C)CC(Br)=C

Other Names for this Substance

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propen-1-yl)-5-(2-propen-1-yl)-
  • Barbituric acid, 5-allyl-5-(2-bromoallyl)-
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(2-propenyl)-
  • 5-(2-Bromo-2-propen-1-yl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • Brallobarbital

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