| CAS Number | 938321-20-1 |
| Catalog Number | AG019V4O |
| Chemical Name | 2-(2-Bromophenoxy)-3-methylbutanoic acid |
| IUPAC Name | 2-(2-bromophenoxy)-3-methylbutanoic acid |
| InChI | InChI=1S/C11H13BrO3/c1-7(2)10(11(13)14)15-9-6-4-3-5-8(9)12/h3-7,10H,1-2H3,(H,13,14) |
| InChI Key | DDJXREVQQNJVGW-UHFFFAOYSA-N |
| MDL Number | MFCD09715447 |
| Molecular Formula | C11H13BrO3 |
| Molecular Weight | 273.1231 |
| SMILES | CC(C(C(O)=O)OC1=C(Br)C=CC=C1)C |
| Synonyms | 2-(2-bromophenoxy)-3-methylbutanoic acid,
938321-20-1,
AC1Q1O8M,
CTK6A3847,
AKOS000194561,
AKOS016898229,
MCULE-1325756534,
NE47969,
EN300-43726,
2-(2-bromophenoxy)-3-methylbutanoic acid, AldrichCPR,
Z216679534,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.126g/mol |
| Monoisotopic Mass | 272.005g/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