Basic information
- CAS
27018-50-4- Standard SMILES
Cc1c2ccccc2c(CI)c2ccc3ccccc3c12- InChIKey
YCEFXAWNLQFCMH-UHFFFAOYSA-N- Molecular formula
- C20H15I
- Average molar mass
- 382.2 g/mol
- Monoisotopic mass
- 382.02185
Names & identifiers
- Preferred name
- Benz(a)anthracene, 7-(iodomethyl)-12-methyl-
- IUPAC
- 7-(iodomethyl)-12-methylbenzo[a]anthracene
- English name
- 7-(Iodomethyl)-12-methylbenz[a]anthracene
- Molecular formula
- C20H15I
- Molecular weight
- 382.24
Names & synonyms
Benz(a)anthracene, 7-(iodomethyl)-12-methyl-BRN 33430617-Iodomethyl-12-methylbenz(a)anthracene27018-50-4DTXSID001815053-05-00-02414 (Beilstein Handbook Reference)RefChem:321028DTXCID701039967-(iodomethyl)-12-methyltetraphene7-(Iodomethyl)-12-methylbenz[a]anthraceneBenz[a]anthracene, 7-(iodomethyl)-12-methyl-
Database identifiers
- CAS
27018-50-4- PubChem CID
- 94375
- DTXSID
DTXSID00181505- Nikkaji
- J35.552F
Properties
Computed structural properties
- XLogP
- 6.4
- 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
- Melting point
- 99 °C · 99 °C
- Boiling point
- 317.36 °C · 317.36°C (rough estimate)
- Density
- 1.4815 · 1.4815 (rough estimate)
- refractive index
- 1.76 · 1.7600 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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