BENZ(a)ANTHRACENE, 8-BROMO-7,12-DIMETHYL-
Basic information
- CAS
63018-63-3- Standard SMILES
Cc1c2ccc3ccccc3c2c(C)c2cccc(Br)c12- InChIKey
LMIYILXYMXQTNN-UHFFFAOYSA-N- Molecular formula
- C20H15Br
- Average molar mass
- 335.2 g/mol
- Monoisotopic mass
- 334.03571
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE, 8-BROMO-7,12-DIMETHYL-
- IUPAC
- 8-bromo-7,12-dimethylbenzo[a]anthracene
- English name
- 8-Bromo-7,12-dimethylbenz[a]anthracene
- Molecular formula
- C20H15Br
- Molecular weight
- 335.24
Names & synonyms
63018-63-3BENZ(a)ANTHRACENE, 8-BROMO-7,12-DIMETHYL-8-Bromo-7,12-dimethylbenz(a)anthracene8-Bromo-7,12-dimethylbenz[a]anthraceneBRN 33347555-Bromo-9,10-dimethyl-1,2-benzanthracene8-bromo-7,12-dimethyltetrapheneSCHEMBL8781301DTXSID60212248DB-318422Benz[a]anthracene, 8-bromo-7,12-dimethyl-
Database identifiers
- CAS
63018-63-3- PubChem CID
- 44268
- DTXSID
DTXSID60212248- Nikkaji
- J73.176E
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Boiling point
- 391.41 °C · 391.41°C (rough estimate)
- Density
- 1.3419 · 1.3419 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
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Related reactions
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Compound notes
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