| CAS Number | 634154-62-4 |
| Catalog Number | AG019X3S |
| Chemical Name | 5-chloro-2-(propan-2-yloxy)benzoic acid |
| IUPAC Name | 5-chloro-2-propan-2-yloxybenzoic acid |
| InChI | InChI=1S/C10H11ClO3/c1-6(2)14-9-4-3-7(11)5-8(9)10(12)13/h3-6H,1-2H3,(H,12,13) |
| InChI Key | BZSZQGDPHHWWKY-UHFFFAOYSA-N |
| MDL Number | MFCD02729206 |
| Molecular Formula | C10H11ClO3 |
| Molecular Weight | 214.6455 |
| SMILES | ClC=1C=CC(=C(C(=O)O)C1)OC(C)C |
| Synonyms | 5-chloro-2-(propan-2-yloxy)benzoic acid,
634154-62-4,
AC1N8UDK,
AC1Q1QLO,
AC1Q1QPB,
SCHEMBL17040592,
CTK6B0827,
5-chloro-2-isopropoxybenzoic acid,
ZINC2584126,
AKOS005061914,
5-chloro-2-propan-2-yloxybenzoic acid,
MCULE-1115740387,
NE21218,
EN300-53974,
CID4350238,
5-chloro-2-propan-2-yloxy-benzoic Acid,
|
| 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 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number