Benz(a)anthracene, 7-bromomethyl-1-methyl-
Basic information
- CAS
34346-96-8- Standard SMILES
Cc1cccc2ccc3c(CBr)c4ccccc4cc3c12- InChIKey
JRCVXUWGSHXBBH-UHFFFAOYSA-N- Molecular formula
- C20H15Br
- Average molar mass
- 335.2 g/mol
- Monoisotopic mass
- 334.03571
Names & identifiers
- Preferred name
- Benz(a)anthracene, 7-bromomethyl-1-methyl-
- IUPAC
- 7-(bromomethyl)-1-methylbenzo[a]anthracene
- English name
- Benz(a)anthracene, 7-bromomethyl-1-methyl-
- Molecular formula
- C20H15Br
- Molecular weight
- 335.24
Names & synonyms
Benz(a)anthracene, 7-bromomethyl-1-methyl-34346-96-87-(bromomethyl)-1-methyltetraphene1-Methyl-7-bromomethylbenz(a)anthracene7-Bromomethyl-1-methylbenz(a)anthraceneDTXSID701879181-Methyl-7-bromomethylbenz[a]anthracene
Database identifiers
- CAS
34346-96-8- PubChem CID
- 93170
- DTXSID
DTXSID70187918- Nikkaji
- J35.516J
Properties
Computed structural properties
- XLogP
- 6.6
- 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
- 391.41 °C · 391.41°C (rough estimate)
- Density
- 1.3419 · 1.3419 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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