Cas no 918331-54-1 (1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(2-hydroxyethyl)-)

1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(2-hydroxyethyl)- structure
918331-54-1 structure
Product Name:1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(2-hydroxyethyl)-
CAS No:918331-54-1
MF:C10H10BrNO2
MW:256.095901966095
CID:777669
Update Time:2023-08-03

1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(2-hydroxyethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(2-hydroxyethyl)-
    • 5-bromo-2-(2-hydroxyethyl)-3H-isoindol-1-one
    • 5-bromo-2-(2-hydroxyethyl)isoindolin-1-one
    • LNPTVVKCUJGIJD-UHFFFAOYSA-N
    • 1H-Isoindol-1-one,5-bromo-2,3-dihydro-2-(2-hydroxyethyl)-
    • 5-bromo-2-(2-hydroxyethyl)-2,3-dihydroisoindol-1-one
    • 5-Bromo-2-(2-hydroxyethyl)-2,3-dihydro-1H-isoindol-1-one
    • Inchi: 1S/C10H10BrNO2/c11-8-1-2-9-7(5-8)6-12(3-4-13)10(9)14/h1-2,5,13H,3-4,6H2
    • InChI Key: LNPTVVKCUJGIJD-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2C(N(CCO)CC=2C=1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 234
  • Topological Polar Surface Area: 40.5
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