Basic information
- CAS
23914-91-2- Standard SMILES
CCCOc1ccc(CC(=O)O)cc1Cl- InChIKey
QEJHPAGTOOIBFT-UHFFFAOYSA-N- Molecular formula
- C11H13ClO3
- Average molar mass
- 228.67 g/mol
- Monoisotopic mass
- 228.055322
Names & identifiers
- Preferred name
- (3-Chloro-4-Propoxy-Phenyl)-Acetic Acid
- IUPAC
- 2-(3-chloro-4-propoxyphenyl)acetic acid
- English name
- 3-Chloro-4-propoxy-benzeneacetic acid
- Molecular formula
- C11H13ClO3
- Molecular weight
- 228.67
Names & synonyms
(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID2-(3-chloro-4-propoxyphenyl)acetic acidRefChem:400084(3-chloro-4-propoxyphenyl)acetic acid23914-91-2SCHEMBL4321455DTXSID901289307HMS3604N103-Chloro-4-propoxybenzeneacetic acidSTL386671AKOS000296250DB02773
Show more names
3-Chloro-4-propoxy-benzeneacetic acidBENZENEACETIC ACID, 3-CHLORO-4-PROPOXY-
NS00069481Q27093721
Database identifiers
- CAS
23914-91-2- PubChem CID
- 2084
- DTXSID
DTXSID901289307
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…