6-Bromo-2,3,4,9-tetrahydro-9-methyl-1H-carbazol-1-one
Basic information
- CAS
59514-19-1- Standard SMILES
Cn1c2c(c3cc(Br)ccc31)CCCC2=O- InChIKey
SKCOAJQVJZTOEY-UHFFFAOYSA-N- Molecular formula
- C13H12BrNO
- Average molar mass
- 278.14 g/mol
- Monoisotopic mass
- 277.01023
Names & identifiers
- Preferred name
- 6-Bromo-2,3,4,9-tetrahydro-9-methyl-1H-carbazol-1-one
- IUPAC
- 6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-one
- English name
- CHEMBRDG-BB 5130444
- Molecular formula
- C13H12BrNO
- Molecular weight
- 278.14
Names & synonyms
59514-19-16-Bromo-2,3,4,9-tetrahydro-9-methyl-1H-carbazol-1-oneRefChem:3073556-bromo-9-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one6-bromo-9-methyl-3,4-dihydro-2H-carbazol-1-oneCambridge id 51304446-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-oneSCHEMBL4150768DTXSID501213855CCG-18148STK835327AKOS000530779
Show more names
CHEMBRDG-BB 51304441H-Carbazol-1-one, 6-bromo-2,3,4,9-tetrahydro-9-methyl-6-bromo-9-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one(SALTDATA: FREE)
BS-38271DB-124260CS-0319745EU-0040908ST50006434AB00074207-01F313860SR-01000457523
Database identifiers
- CAS
59514-19-1- PubChem CID
- 708530
- DTXSID
DTXSID501213855
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 433.4 · 433.4±40.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
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Compound notes
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