Basic information
- CAS
95741-47-2- Standard SMILES
Cc1cccc2cc3c4c(cccc4c12)-c1ccccc1-3- InChIKey
GCINNQHKSCGXCW-UHFFFAOYSA-N- Molecular formula
- C21H14
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.10955045
Names & identifiers
- Preferred name
- 12-Methylbenzo(b)fluoranthrene
- IUPAC
- 3-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
Names & synonyms
12-Methylbenzo(b)fluoranthrene95741-47-212-Methylbenzo(b)fluorantheneNIOSH/CU159550012-Methylbenz(e)acephenanthryleneBenz(e)acephenanthrylene, 12-methyl-CU1595500012-Methylbenzo[b]fluoranthene12-METHYLBENZO[B]FLUORANTHRENECCRIS 5737UPC53YFB6XDTXSID60241952
Show more names
12-Methylbenzo[e]acephenanthryleneBenzo[b]fluoranthene, 12-methyl-
Database identifiers
- CAS
95741-47-2- PubChem CID
- 175644
- DTXSID
DTXSID60241952- UNII
- UPC53YFB6X
- Nikkaji
- J712.100H
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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