| CAS Number | 926252-65-5 |
| Catalog Number | AG019V6N |
| Chemical Name | 2-(2-Bromo-4-methylphenoxy)propanoic acid |
| IUPAC Name | 2-(2-bromo-4-methylphenoxy)propanoic acid |
| InChI | InChI=1S/C10H11BrO3/c1-6-3-4-9(8(11)5-6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13) |
| InChI Key | GHHXWCJVBYFPLG-UHFFFAOYSA-N |
| MDL Number | MFCD08442210 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | CC(C(O)=O)OC1=C(Br)C=C(C)C=C1 |
| Synonyms | 2-(2-bromo-4-methylphenoxy)propanoic acid,
926252-65-5,
AC1Q2BXU,
CTK7I5117,
AKOS000124722,
AKOS024138424,
MCULE-4860133180,
NE23541,
EN300-43899,
Z228583550,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.099g/mol |
| Monoisotopic Mass | 257.989g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number