| CAS Number | 63403-28-1 |
| Catalog Number | AG019VFJ(AGN-PC-01V1OY) |
| Chemical Name | 2-(4-Bromophenoxy)-3-methylbutanoic acid |
| IUPAC Name | 2-(4-bromophenoxy)-3-methylbutanoic acid |
| InChI | InChI=1S/C11H13BrO3/c1-7(2)10(11(13)14)15-9-5-3-8(12)4-6-9/h3-7,10H,1-2H3,(H,13,14) |
| InChI Key | DQIKXUAKDQUKRP-UHFFFAOYSA-N |
| MDL Number | MFCD09708912 |
| Molecular Formula | C11H13BrO3 |
| Molecular Weight | 273.1231 |
| SMILES | CC(C(C(O)=O)OC1=CC=C(Br)C=C1)C |
| Synonyms | 2-(4-bromophenoxy)-3-methylbutanoic acid,
63403-28-1,
AC1Q1O8Q,
SCHEMBL11719466,
CTK6A3833,
AKOS000188922,
AKOS016898139,
MCULE-1284794000,
NE36399,
EN300-45106,
AB01006751-01,
|
| Complexity | 210 |
| 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