| CAS Number | 1369785-64-7 |
| Catalog Number | AG01DVYL |
| Chemical Name | 2-chloro-3-(propan-2-yloxy)benzoic acid |
| IUPAC Name | 2-chloro-3-propan-2-yloxybenzoic acid |
| InChI | InChI=1S/C10H11ClO3/c1-6(2)14-8-5-3-4-7(9(8)11)10(12)13/h3-6H,1-2H3,(H,12,13) |
| InChI Key | NANUKPNCPFPTCJ-UHFFFAOYSA-N |
| MDL Number | MFCD28356777 |
| Molecular Formula | C10H11ClO3 |
| Molecular Weight | 214.6455 |
| SMILES | CC(OC1=C(Cl)C(C(O)=O)=CC=C1)C |
| Synonyms | 2-CHLORO-3-(PROPAN-2-YLOXY)BENZOIC ACID,
1369785-64-7,
AKOS034139138,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.645g/mol |
| Monoisotopic Mass | 214.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number