Basic information
- CAS
42017-94-7- Standard SMILES
O=C(O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1- InChIKey
VXEQLPQDVNSOPB-UHFFFAOYSA-N- Molecular formula
- C15H11ClO4
- Average molar mass
- 290.7 g/mol
- Monoisotopic mass
- 290.0345865
Names & identifiers
- Preferred name
- 2-(4-(4-Chlorobenzoyl)phenoxy)acetic acid
- IUPAC
- 2-[4-(4-chlorobenzoyl)phenoxy]acetic acid
Names & synonyms
2-[4-(4-chlorobenzoyl)phenoxy]acetic Acid2-(4-(4-Chlorobenzoyl)phenoxy)acetic acidRefChem:456345849-693-942017-94-72-{4-[(4-chlorophenyl)carbonyl]phenoxy}acetic acidAcetic acid, (4-(4-chlorobenzoyl)phenoxy)-SCHEMBL17946627DTXSID10962160AKOS000128615[4-(4-Chlorobenzoyl)phenoxy]acetic acid2-[4-(4-chlorobenzoyl)phenoxy]aceticAcid
Show more names
CS-0249281EN300-42988G25947Z65941119
Database identifiers
- CAS
42017-94-7- PubChem CID
- 181716
- DTXSID
DTXSID10962160- EC Number
- 849-693-9
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 342
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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