Basic information
- CAS
136687-76-8- Standard SMILES
CN(C)c1ccc(C2C(Cl)C(=O)N2c2ccccc2C(=O)O)cc1- InChIKey
BIJAFEOWHXENMR-UHFFFAOYSA-N- Molecular formula
- C18H17ClN2O3
- Average molar mass
- 344.8 g/mol
- Monoisotopic mass
- 344.0927701
Names & identifiers
- Preferred name
- Benzoic acid, 2-(3-chloro-2-(4-(dimethylamino)phenyl)-4-oxo-1-azetidinyl)-
- IUPAC
- 2-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]benzoic acid
Names & synonyms
2-(3-Chloro-2-(4-(dimethylamino)phenyl)-4-oxo-1-azetidinyl)benzoic acid136687-76-8Benzoic acid, 2-(3-chloro-2-(4-(dimethylamino)phenyl)-4-oxo-1-azetidinyl)-RefChem:326765DTXSID509295152-{3-Chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl}benzoic acid
Database identifiers
- CAS
136687-76-8- PubChem CID
- 3078024
- DTXSID
DTXSID50929515- Nikkaji
- J407.038K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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