4-(3-Chlorophenoxy)butanoic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
5057-51-2- Standard SMILES
O=C(O)CCCOc1cccc(Cl)c1- InChIKey
CAQCSGKAOBSSJY-UHFFFAOYSA-N- Molecular formula
- C10H11ClO3
- Average molar mass
- 214.64 g/mol
- Monoisotopic mass
- 214.0396719
Names & identifiers
- Preferred name
- 4-(3-Chlorophenoxy)butanoic acid
- IUPAC
- 4-(3-chlorophenoxy)butanoic acid
- English name
- 4-(3-CHLORO-PHENOXY)-BUTYRIC ACID
- Molecular formula
- C10H11ClO3
- Molecular weight
- 214.65
Names & synonyms
4-(3-Chlorophenoxy)butanoic acid5057-51-24-(3-CHLORO-PHENOXY)-BUTYRIC ACID4-(3-chlorophenoxy)butyric acidMFCD04114332Butanoic acid, 4-(3-chlorophenoxy)-SCHEMBL2914775SCHEMBL30025954DTXSID00198592CAQCSGKAOBSSJY-UHFFFAOYSA-NAKOS000160886AB18091
Show more names
FC52003DB-071223CS-0005241
Database identifiers
- CAS
5057-51-2- PubChem CID
- 3014342
- DTXSID
DTXSID00198592
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
Loading…