1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl-
Basic information
- CAS
78758-03-9- Standard SMILES
CCCCCC1=C(CCl)C(=O)c2ccccc2C1=O- InChIKey
BWPQLTXBBCTFFD-UHFFFAOYSA-N- Molecular formula
- C16H17ClO2
- Average molar mass
- 276.76 g/mol
- Monoisotopic mass
- 276.0917075
Names & identifiers
- Preferred name
- 1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl-
- IUPAC
- 2-(chloromethyl)-3-pentylnaphthalene-1,4-dione
Names & synonyms
1,4-Naphthalenedione, 2-(chloromethyl)-3-pentyl-78758-03-92-(chloromethyl)-3-pentylnaphthalene-1,4-dioneDTXSID60229275
Database identifiers
- CAS
78758-03-9- PubChem CID
- 157248
- DTXSID
DTXSID60229275
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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