Cas no 31645-84-8 (1H-Isoindole-1,3(2H)-dione,2-(4-chloro-2-buten-1-yl)-)

1H-Isoindole-1,3(2H)-dione,2-(4-chloro-2-buten-1-yl)- structure
31645-84-8 structure
Product Name:1H-Isoindole-1,3(2H)-dione,2-(4-chloro-2-buten-1-yl)-
CAS No:31645-84-8
MF:C12H10ClNO2
MW:235.666302204132
CID:299903
PubChem ID:2734200
Update Time:2025-04-19

1H-Isoindole-1,3(2H)-dione,2-(4-chloro-2-buten-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Isoindole-1,3(2H)-dione,2-(4-chloro-2-buten-1-yl)-
    • 2-(4-chlorobut-2-enyl)isoindole-1,3-dione
    • 2-(4-Chloro-but-2-enyl)-isoindole-1,3-dione
    • AC1MC0KZ
    • AG-A-30521
    • CTK6H6283
    • KB-162866
    • KB-92094
    • N-(4-Chlor-2-butenyl)-phthalimid
    • N-(4-chloro-but-2-enyl)-phthalimide
    • SureCN644937
    • SB64183
    • 31645-84-8
    • 2-(4-chloro-2-butenyl)-1,3-isoindolinedione
    • 2-(4-chlorobut-2-en-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione
    • SY261819
    • MFCD00608158
    • (Z)-2-(4-Chloro-2-buten-1-yl)isoindoline-1,3-dione
    • SY261818
    • FT-0773911
    • DTXSID80370157
    • MFCD03093299
    • VSGHWUAHVBTJIU-UHFFFAOYSA-N
    • N-(4-chloro-2-butenyl)-isoindole-1,3(2H)-dione
    • (E)-2-(4-Chloro-2-buten-1-yl)isoindoline-1,3-dione
    • Inchi: 1S/C12H10ClNO2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-6H,7-8H2
    • InChI Key: VSGHWUAHVBTJIU-UHFFFAOYSA-N
    • SMILES: ClCC=CCN1C(C2C=CC=CC=2C1=O)=O

Computed Properties

  • Exact Mass: 235.04
  • Monoisotopic Mass: 235.04
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 303
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 2.2
  • Topological Polar Surface Area: 37.4?2

Experimental Properties

  • PSA: 37.38000
  • LogP: 2.01550
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