Basic information
- CAS
121714-82-7- Standard SMILES
CC(=O)Oc1ccc2cc(C(=O)Cl)ccc2c1- InChIKey
GQAXSRIBRIMFIT-UHFFFAOYSA-N- Molecular formula
- C13H9ClO3
- Average molar mass
- 248.66 g/mol
- Monoisotopic mass
- 248.0240218
Names & identifiers
- Preferred name
- 6-(Chlorocarbonyl)naphthalen-2-yl acetate
- IUPAC
- (6-carbonochloridoylnaphthalen-2-yl) acetate
Names & synonyms
121714-82-7Nafamostat Impurity 636-(Chlorocarbonyl)naphthalen-2-yl acetateSCHEMBL9093076-acetoxy-2-naphthoyl chlorideDTXSID80577462GQAXSRIBRIMFIT-UHFFFAOYSA-N2-acetoxy-6-naphthoic acid chloride6-acetoxy-2-naphthoic acid chloride
Database identifiers
- CAS
121714-82-7- PubChem CID
- 15724809
- DTXSID
DTXSID80577462
Properties
Computed structural properties
- XLogP
- 3.4
- 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
- 316
Related reactions
10 records
Compound notes
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