| CAS Number | 938285-07-5 |
| Catalog Number | AG01E3JZ(AGN-PC-3H45E9) |
| Chemical Name | 2-(3-Bromophenoxy)-2-phenylacetic acid |
| IUPAC Name | 2-(3-bromophenoxy)-2-phenylacetic acid |
| InChI | InChI=1S/C14H11BrO3/c15-11-7-4-8-12(9-11)18-13(14(16)17)10-5-2-1-3-6-10/h1-9,13H,(H,16,17) |
| InChI Key | JOQPWSHPJXCJDX-UHFFFAOYSA-N |
| MDL Number | MFCD09718887 |
| Molecular Formula | C14H11BrO3 |
| Molecular Weight | 307.1393 |
| SMILES | OC(C(C1=CC=CC=C1)OC1=CC(Br)=CC=C1)=O |
| Synonyms | 2-(3-bromophenoxy)-2-phenylacetic acid,
938285-07-5,
AC1Q71UZ,
CTK5I8552,
AKOS000194985,
AKOS016902919,
MCULE-3087886988,
NE17481,
EN300-43978,
Z449369228,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.143g/mol |
| Monoisotopic Mass | 305.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number