| CAS Number | 132902-25-1 |
| Catalog Number | AG019UM2 |
| Chemical Name | 4-(2-Bromophenoxy)butanoic acid |
| IUPAC Name | 4-(2-bromophenoxy)butanoic acid |
| InChI | InChI=1S/C10H11BrO3/c11-8-4-1-2-5-9(8)14-7-3-6-10(12)13/h1-2,4-5H,3,6-7H2,(H,12,13) |
| InChI Key | RFXWFHPAPWPKCP-UHFFFAOYSA-N |
| MDL Number | MFCD09706702 |
| Molecular Formula | C10H11BrO3 |
| Molecular Weight | 259.0965 |
| SMILES | OC(CCCOC1=C(Br)C=CC=C1)=O |
| Synonyms | 4-(2-bromophenoxy)butanoic acid,
132902-25-1,
4-(2-bromophenoxy)-butyric acid,
AC1Q75IW,
SCHEMBL9469397,
CTK7J3928,
RFXWFHPAPWPKCP-UHFFFAOYSA-N,
ZINC11993531,
AKOS000170584,
MCULE-3558997820,
NE19873,
EN300-42105,
A1-05513,
|
| Complexity | 184 |
| 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 | 5 |
| 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