Basic information
- CAS
50332-21-3- Standard SMILES
O=C(c1ccc(Cl)cc1)n1c2c(c3cc4c(cc31)OCO4)CCCC2- InChIKey
WRXIIEZGQHAMCP-UHFFFAOYSA-N- Molecular formula
- C20H16ClNO3
- Average molar mass
- 353.8 g/mol
- Monoisotopic mass
- 353.0818711
Names & identifiers
- Preferred name
- 5H-1,3-Dioxolo(4,5-b)carbazole, 6,7,8,9-tetrahydro-5-(p-chlorobenzoyl)-
- IUPAC
- (4-chlorophenyl)-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-b]carbazol-9-yl)methanone
Names & synonyms
BRN 10370435H-1,3-DIOXOLO(4,5-b)CARBAZOLE, 6,7,8,9-TETRAHYDRO-5-(p-CHLOROBENZOYL)-50332-21-3DTXSID101983665-(p-Chlorobenzoyl)-6,7,8,9-tetrahydro-5H-1,3-dioxolo(4,5-b)carbazoleRefChem:305231DTXCID40120857(4-Chlorophenyl)(6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-b]carbazol-5-yl)methanone
Database identifiers
- CAS
50332-21-3- PubChem CID
- 39623
- DTXSID
DTXSID10198366- Nikkaji
- J83.721K
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…