947533-96-2 Purity
98%
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PubChem CID: 73441692
Molecular Formula: C7H9BBrNO4
Synonyms: (E)-8-(2-Bromovinyl)-4-methyl-2,6-dioxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide, (E)-2-(2-Bromovinyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione, CS-0440882, (E)-8-(2-bromovinyl)-4-methyldihydro-4lambda4,8lambda4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborole-2,6(3H,5H)-dione, 8-[(1E)-2-bromoethenyl]-4-methyl-2,6-dioxo-hexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide
Molecular Weight: 261.87 g/mol
IUPAC Name: 1-[(E)-2-bromoethenyl]-5-methyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione
InChI: InChI=1S/C7H9BBrNO4/c1-10-4-6(11)13-8(10,2-3-9)14-7(12)5-10/h2-3H,4-5H2,1H3/b3-2+
InChIKey: AYYUZOQBVAPABR-NSCUHMNNSA-N
Canonical SMILES: [B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C=CBr
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 5