(R,S)-4-Bromohomoibotenic acid

CAS Registry Number®

77006-30-5
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CAS Name

(R,S)-4-Bromohomoibotenic acid

Molecular Formula

C6H7BrN2O4

Molecular Mass

251.03

Cite this Page

(R,S)-4-Bromohomoibotenic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=77006-30-5 (retrieved 2024-04-28) (CAS RN: 77006-30-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H7BrN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)

InChIKey

InChIKey=JRTOQOAGTSUNHA-UHFFFAOYSA-N

SMILES

C(C(C(O)=O)N)C1=C(Br)C(=O)NO1

Canonical SMILES

O=C1NOC(=C1Br)CC(N)C(=O)O

Other Names for this Substance

  • 5-Isoxazolepropanoic acid, α-amino-4-bromo-2,3-dihydro-3-oxo-
  • α-Amino-4-bromo-2,3-dihydro-3-oxo-5-isoxazolepropanoic acid
  • (R,S)-4-Bromohomoibotenic acid
  • 2-Amino-3-(4-bromo-3-hydroxy-1,2-oxazol-5-yl)propanoic acid
  • 2-Amino-3-(4-bromo-3-hydroxyisoxazol-5-yl)propanoic acid

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Deleted or Replaced CAS Registry Numbers

71366-32-0, 78729-81-4

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