Basic information
- CAS
20421-34-5- Standard SMILES
C[C@@H](Oc1ccc(Cl)cc1)C(=O)O- InChIKey
DKHJWWRYTONYHB-ZCFIWIBFSA-N- Molecular formula
- C9H9ClO3
- Average molar mass
- 200.62 g/mol
- Monoisotopic mass
- 200.0240218
Names & identifiers
- Preferred name
- (2R)-2-(4-chlorophenoxy)propanoic acid
- IUPAC
- (2R)-2-(4-chlorophenoxy)propanoic acid
Names & synonyms
(2r)-2-(4-chlorophenoxy)propanoic acidRefChem:397029963-086-720421-34-5(r)-2-(4-chlorophenoxy)propanoic acidPropanoic acid, 2-(4-chlorophenoxy)-, (2R)-SCHEMBL607372CHEMBL281367EBC-14775(r)-2-(4-chlorophenoxy) propi-onic acid(R)-(+)-2-(4-Chlorophenoxy)propionic acidEN300-5307390
Database identifiers
- CAS
20421-34-5- PubChem CID
- 736071
- ChEMBL
CHEMBL281367- EC Number
- 963-086-7
- Nikkaji
- J475.247C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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