1,4-Naphthalenedione, 2-chloro-3-propoxy-
Basic information
- CAS
84369-93-7- Standard SMILES
CCCOC1=C(Cl)C(=O)c2ccccc2C1=O- InChIKey
LHRLRJXHMDGYQJ-UHFFFAOYSA-N- Molecular formula
- C13H11ClO3
- Average molar mass
- 250.68 g/mol
- Monoisotopic mass
- 250.0396719
Names & identifiers
- Preferred name
- 1,4-Naphthalenedione, 2-chloro-3-propoxy-
- IUPAC
- 2-chloro-3-propoxynaphthalene-1,4-dione
Names & synonyms
2-Chloro-3-propoxy-1,4-naphthoquinoneBRN 59387002-Chloro-3-propoxy-1,4-naphthalenedione1,4-Naphthalenedione, 2-chloro-3-propoxy-84369-93-7DTXSID302333441,4-NAPHTHOQUINONE, 2-CHLORO-3-PROPOXY-RefChem:220961DTXCID301558351,4-Naphthalenedione, 2-chloro-3-propoxy-(9CI)2-chloro-3-propoxynaphthalene-1,4-dione1,4-Naphthalenedione, 2-chloro-3-propoxy- (9CI)
Show more names
CHEMBL152680
Database identifiers
- CAS
84369-93-7- PubChem CID
- 55244
- DTXSID
DTXSID30233344- ChEMBL
CHEMBL152680- Nikkaji
- J1.704.391I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 373
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Related reactions
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Compound notes
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