| CAS Number | 926211-97-4 |
| Catalog Number | AG019WW4 |
| Chemical Name | 3-(2-Bromo-4-methylphenoxy)propanoic acid |
| IUPAC Name | 3-(2-bromo-4-methylphenoxy)propanoic acid |
| InChI | InChI=1S/C10H11BrO3/c1-7-2-3-9(8(11)6-7)14-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13) |
| InChI Key | BBQDYARFRHMQOU-UHFFFAOYSA-N |
| MDL Number | MFCD09050284 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | CC1=CC(Br)=C(OCCC(O)=O)C=C1 |
| Synonyms | 3-(2-bromo-4-methylphenoxy)propanoic acid,
926211-97-4,
AC1Q2HJT,
CTK7J4503,
ZINC11802820,
AKOS000134187,
MCULE-1569138367,
NE20838,
EN300-53313,
Z812517070,
|
| Complexity | 196 |
| 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 | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number