1,4-Naphthalenedione, 5-chloro-
Basic information
- CAS
40242-15-7- Standard SMILES
O=C1C=CC(=O)c2c(Cl)cccc21- InChIKey
SJYAKSBYGSZNSO-UHFFFAOYSA-N- Molecular formula
- C10H5ClO2
- Average molar mass
- 192.6 g/mol
- Monoisotopic mass
- 191.9978071
Names & identifiers
- Preferred name
- 1,4-Naphthalenedione, 5-chloro-
- IUPAC
- 5-chloronaphthalene-1,4-dione
Names & synonyms
5-chloronaphthalene-1,4-dione40242-15-71,4-Naphthalenedione, 5-chloro-5-Chlor-1,4-naphthochinon5-chloro-1 ,4-naphthoquinoneSCHEMBL8773075SCHEMBL30003395DTXSID10437161AKOS006373108
Database identifiers
- CAS
40242-15-7- PubChem CID
- 10241683
- DTXSID
DTXSID10437161- Nikkaji
- J1.083.786C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 283
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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