2-(7-Chloronaphthalen-1-yl)oxyacetic acid
Basic information
- CAS
25178-72-7- Standard SMILES
O=C(O)COc1cccc2ccc(Cl)cc12- InChIKey
JNOMXJSMICVQPK-UHFFFAOYSA-N- Molecular formula
- C12H9ClO3
- Average molar mass
- 236.65 g/mol
- Monoisotopic mass
- 236.0240218
Names & identifiers
- Preferred name
- 2-(7-Chloronaphthalen-1-yl)oxyacetic acid
- IUPAC
- 2-(7-chloronaphthalen-1-yl)oxyacetic acid
Names & synonyms
25178-72-72-(7-chloronaphthalen-1-yl)oxyacetic acidNSC190560DTXSID20307260NSC-190560[(7-chloronaphthalen-1-yl)oxy]acetic acid
Database identifiers
- CAS
25178-72-7- PubChem CID
- 302833
- DTXSID
DTXSID20307260
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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