Basic information
- CAS
876866-75-0- Standard SMILES
O=C(O)Cc1csc(COc2ccc(Cl)cc2)n1- InChIKey
IYHBMODYRFZOHK-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO3S
- Average molar mass
- 283.73 g/mol
- Monoisotopic mass
- 283.006992
Names & identifiers
- Preferred name
- 2-(2-((4-Chlorophenoxy)methyl)-1,3-thiazol-4-yl)acetic acid
- IUPAC
- 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid
Names & synonyms
876866-75-02-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic Acid2-{2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl}acetic acid2-(2-((4-Chlorophenoxy)methyl)-1,3-thiazol-4-yl)acetic acidRefChem:452335966-583-72-[2-(4-chlorophenoxymethyl)-1,3-thiazol-4-yl]acetic acid(2-[(4-Chlorophenoxy)methyl]-1,3-thiazol-4-yl)acetic acid{2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl}acetic acidAKOS001204828CS-0241642EN300-23569
Show more names
G367132-[2-[(4-chlorophenoxy)methyl]thiazol-4-yl]acetic acidZ1546662142-[2-(4-chlorophenoxymethyl)-1,3-thiazol-4-yl]aceticacid
Database identifiers
- CAS
876866-75-0- PubChem CID
- 4980720
- EC Number
- 966-583-7
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
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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