Basic information
- CAS
50332-23-5- Standard SMILES
O=C(c1ccc(Br)cc1)n1c2c(c3cc4c(cc31)OCO4)CCCC2- InChIKey
KCLDYKYYSDEVEY-UHFFFAOYSA-N- Molecular formula
- C20H16BrNO3
- Average molar mass
- 398.2 g/mol
- Monoisotopic mass
- 397.03136
Names & identifiers
- Preferred name
- 5H-1,3-Dioxolo(4,5-b)carbazole, 6,7,8,9-tetrahydro-5-(p-bromobenzoyl)-
- IUPAC
- (4-bromophenyl)-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-b]carbazol-9-yl)methanone
- English name
- 5-(4-Bromobenzoyl)-6,7,8,9-tetrahydro-5H-1,3-dioxolo[4,5-b]carbazole
- Molecular formula
- C20H16BrNO3
- Molecular weight
- 398.25
Names & synonyms
50332-23-5BRN 10370445H-1,3-DIOXOLO(4,5-b)CARBAZOLE, 6,7,8,9-TETRAHYDRO-5-(p-BROMOBENZOYL)-DTXSID301983685-(4-Bromobenzoyl)-6,7,8,9-tetrahydro-5H-1,3-dioxolo(4,5-b)carbazole5-(4-Bromobenzoyl)-6,7,8,9-tetrahydro-5H-1,3-dioxolo[4,5-b]carbazoleRefChem:305230DTXCID60120859DB-263315(4-Bromophenyl)(6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-b]carbazol-5-yl)methanoneMethanone, (4-bromophenyl)(6,7,8,9-tetrahydro-5H-1,3-dioxolo[4,5-b]carbazol-5-yl)-
Database identifiers
- CAS
50332-23-5- PubChem CID
- 39625
- DTXSID
DTXSID30198368- Nikkaji
- J83.719I
Properties
Computed structural properties
- XLogP
- 5.3
- 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
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