Basic information
- CAS
24961-39-5- Standard SMILES
BrCc1c2ccccc2cc2c1ccc1ccccc12- InChIKey
QUVSFZCWYBQJJK-UHFFFAOYSA-N- Molecular formula
- C19H13Br
- Average molar mass
- 321.2 g/mol
- Monoisotopic mass
- 320.02006
Names & identifiers
- Preferred name
- 7-(Bromomethyl)benz(a)anthracene
- IUPAC
- 7-(bromomethyl)benzo[a]anthracene
- English name
- 7-bromomethylbenzanthracene
- Molecular formula
- C19H13Br
- Molecular weight
- 321.21
Names & synonyms
7-Bromomethylbenzanthracene24961-39-57-Bromomethylbenz(a)anthracene7-(Bromomethyl)benz(a)anthracene5C6O181H577-bromomethylbenz[a]anthraceneDTXSID401796687-(Bromomethyl)benz[a]anthraceneRefChem:105894DTXCID001021597-(BROMOMETHYL)TETRAPHENEBenz[a]anthracene, 7-(bromomethyl)-
Show more names
ICR-498
7-BmbaCCRIS 823ICR 4987-(bromomethyl)benzo[a]anthraceneBRN 1977753Benz(a)anthracene, 7-bromomethyl-SCHEMBL83486UNII-5C6O181H57
Database identifiers
- CAS
24961-39-5- PubChem CID
- 90666
- DTXSID
DTXSID40179668- UNII
- 5C6O181H57
- Nikkaji
- J3.159C
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 376.83 °C · 376.83°C (rough estimate)
- Density
- 1.3694 · 1.3694 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- FDA UNII
- 5 C6O181H57 · 5C6O181H57
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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