Basic information
- CAS
7496-00-6- Standard SMILES
O=C(c1ccccc1Cl)c1ccc2ccccc2c1C(=O)O- InChIKey
FFXZQOKTECJTRD-UHFFFAOYSA-N- Molecular formula
- C18H11ClO3
- Average molar mass
- 310.7 g/mol
- Monoisotopic mass
- 310.0396719
Names & identifiers
- Preferred name
- 2-(2-Chlorobenzoyl)naphthalene-1-carboxylic acid
- IUPAC
- 2-(2-chlorobenzoyl)naphthalene-1-carboxylic acid
Names & synonyms
7496-00-62-(2-chlorobenzoyl)naphthalene-1-carboxylic acidNSC407607DTXSID30324726NSC-407607
Database identifiers
- CAS
7496-00-6- PubChem CID
- 348339
- DTXSID
DTXSID30324726
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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