6-Chloro-3-methyl-1-benzofuran-2-carboxylic acid
Basic information
- CAS
81718-75-4- Standard SMILES
Cc1c(C(=O)O)oc2cc(Cl)ccc12- InChIKey
JHAVUEBXBBRYED-UHFFFAOYSA-N- Molecular formula
- C10H7ClO3
- Average molar mass
- 210.61 g/mol
- Monoisotopic mass
- 210.0083718
Names & identifiers
- Preferred name
- 6-Chloro-3-methyl-1-benzofuran-2-carboxylic acid
- IUPAC
- 6-chloro-3-methyl-1-benzofuran-2-carboxylic acid
Names & synonyms
6-chloro-3-methyl-1-benzofuran-2-carboxylic acid81718-75-4RefChem:541660877-797-4CHEMBL2314506SCHEMBL1385653BDBM50424780EN300-23925581Z1416191044
Database identifiers
- CAS
81718-75-4- PubChem CID
- 13044634
- ChEMBL
CHEMBL2314506- EC Number
- 877-797-4
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
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
Loading…