Basic information
- CAS
1016-99-5- Standard SMILES
Cc1cc2oc(C(=O)O)c(C)c2cc1Cl- InChIKey
LNKIVCYCQBWVRU-UHFFFAOYSA-N- Molecular formula
- C11H9ClO3
- Average molar mass
- 224.64 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-3,6-dimethylbenzofuran-2-carboxylic acid
- IUPAC
- 5-chloro-3,6-dimethyl-1-benzofuran-2-carboxylic acid
- English name
- 5-CHLORO-3,6-DIMETHYL-1-BENZOFURAN-2-CARBOXYLIC ACID
- Molecular formula
- C11H9ClO3
- Molecular weight
- 224.64
Names & synonyms
1016-99-55-Chloro-3,6-dimethylbenzofuran-2-carboxylic acid5-chloro-3,6-dimethyl-1-benzofuran-2-carboxylic acid5-chloro-3,6-dimethylbenzo[b]furan-2-carboxylic acidSCHEMBL11742716SBB076122STK516272AKOS002214722CS-0279712ST452104815-Chloro-3,6-dimethylbenzofuran-2-carboxylicacidZ57905821
Show more names
2-Benzofurancarboxylic acid, 5-chloro-3,6-dimethyl-
Database identifiers
- CAS
1016-99-5
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 294 · 294-297 °C
- Boiling point
- 375.1 · 375.1±37.0 °C(Predicted)
- Density
- 1.375 · 1.375±0.06 g/cm3(Predicted)
- pka
- 2.72 · 2.72±0.30(Predicted)
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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