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Home> Encyclopedia > Hot Product Listed 1   > 1(2h)-phthalazinone,3,4-dihydro-,hydrochloride(1:1)-
23933-40-6 structure

1(2h)-phthalazinone,3,4-dihydro-,hydrochloride(1:1)-

Iupac Name:3,4-dihydro-2H-phthalazin-1-one;hydrochloride
CAS No.:23933-40-6
Molecular Weight:184.623
Molecular Formula:C8H9ClN2O (isomer)
Names and Identifiers
Synonyms

1(2H)-PHTHALAZINONE, 3,4-DIHYDRO-, HYDROCHLORIDE(1:1)-

Inchi
InChI=1S/C8H8N2O.ClH/c11-8-7-4-2-1-3-6(7)5-9-10-8;/h1-4,9H,5H2,(H,10,11);1H
InChkey
DSKMUWSWZNCOLF-UHFFFAOYSA-N
Canonical Smiles
C1C2=CC=CC=C2C(=O)NN1.Cl
Computational chemical data
  • Molecular Weight:184.623g/mol
  • Molecular Formula:C8H9ClN2O
  • Compound Is Canonicalized:True
  • Exact Mass:184.04
  • Monoisotopic Mass:184.04
  • Complexity:170
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:41.1A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBzIAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHgAYAAAADADBmAQwAIBiAACI AiFSEACCAAAkAAIaqIEABMgIIDKAlRGAIQBggAAIiYcciICOgAAAAAAQAAAAAAAAACAAAAAAAAAA AA==
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