Basic information
- CAS
59230-81-8- Standard SMILES
Cc1c2ccccc2c(CBr)c2c1ccc1ccccc12- InChIKey
CIJKQWCEYOGOJP-UHFFFAOYSA-N- Molecular formula
- C20H15Br
- Average molar mass
- 335.2 g/mol
- Monoisotopic mass
- 334.03571
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE, 12-BROMOMETHYL-7-METHYL-
- IUPAC
- 12-(bromomethyl)-7-methylbenzo[a]anthracene
- English name
- 12-Bromomethyl-7-methylbenz[a]anthracene
- Molecular formula
- C20H15Br
- Molecular weight
- 335.24
Names & synonyms
59230-81-812-Bromomethyl-7-methylbenz[a]anthraceneBENZ(a)ANTHRACENE, 12-BROMOMETHYL-7-METHYL-12-Bromomethyl-7-methylbenz(a)anthraceneCCRIS 280312-(bromomethyl)-7-methyltetraphene8R8CZS8NFKBenz[a]anthracene, 12-(bromomethyl)-7-methyl-DTXSID40207975DB-36319312-(Bromomethyl)-7-methylbenz[a]anthracene12-BROMOMETHYL -7-METHYLBENZ[A]ANTHRACENE
Database identifiers
- CAS
59230-81-8- PubChem CID
- 42983
- DTXSID
DTXSID40207975- UNII
- 8R8CZS8NFK
- Nikkaji
- J73.177C
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 513 · 513.0±19.0 °C(Predicted)
- Density
- 1.8199 · 1.8199 (estimate)
- FDA UNII
- 8 R8CZS8NFK · 8R8CZS8NFK
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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