Basic information
- CAS
15707-32-1- Standard SMILES
COC1=C(Cl)C(=O)c2ccccc2C1=O- InChIKey
MLABDRCTCNEFPX-UHFFFAOYSA-N- Molecular formula
- C11H7ClO3
- Average molar mass
- 222.62 g/mol
- Monoisotopic mass
- 222.0083718
Names & identifiers
- Preferred name
- 2-Chloro-3-methoxy-1,4-naphthalenedione
- IUPAC
- 2-chloro-3-methoxynaphthalene-1,4-dione
- English name
- 2-Chloro-3-methoxy-1,4-naphthoquinone
- Molecular formula
- C11H7ClO3
- Molecular weight
- 222.62
Names & synonyms
15707-32-11,4-NAPHTHOQUINONE, 2-CHLORO-3-METHOXY-DTXSID50166206RefChem:1062757DTXCID30886972-Chloro-3-methoxy-1,4-naphthalenedione2-Chloro-3-methoxy-1,4-naphthoquinone2-chloro-3-methoxynaphthalene-1,4-dioneNSC 4260BRN 2262276NSC4260CHEMBL350242
Show more names
1,4-Naphthalenedione, 2-chloro-3-methoxy-
SCHEMBL82854432-Chloro-3-methoxynaphthoquinone #NSC-42602-methoxy-3-chloro-1,4-naphthoquinone3-chloro-2-methoxy-1,4-naphtho-quinone3-Chloro -2-methoxy-1,4-naphthoquinone1,4-Naphthoquinone, 2-chloro-3-metho xy-1,4-Naphthalenedione, 2-chlo ro-3-methoxy-
Database identifiers
- CAS
15707-32-1- PubChem CID
- 27459
- DTXSID
DTXSID50166206- ChEMBL
CHEMBL350242- Nikkaji
- J324.906I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 346
Related reactions
1 records
Compound notes
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