| CAS Number | 1019372-32-7 |
| Catalog Number | AG01A44K |
| Chemical Name | 2-(3-chlorophenoxy)-3-methylbutanoic acid |
| IUPAC Name | 2-(3-chlorophenoxy)-3-methylbutanoic acid |
| InChI | InChI=1S/C11H13ClO3/c1-7(2)10(11(13)14)15-9-5-3-4-8(12)6-9/h3-7,10H,1-2H3,(H,13,14) |
| InChI Key | ZXBVQYOLEDJCOA-UHFFFAOYSA-N |
| MDL Number | MFCD11127004 |
| Molecular Formula | C11H13ClO3 |
| Molecular Weight | 228.6721 |
| SMILES | CC(C(C(O)=O)OC1=CC(Cl)=CC=C1)C |
| Synonyms | 2-(3-chlorophenoxy)-3-methylbutanoic acid,
1019372-32-7,
AKOS000198833,
MCULE-1281156344,
NE31302,
Z216549070,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.672g/mol |
| Monoisotopic Mass | 228.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number