| CAS Number | 1261552-11-7 |
| Catalog Number | AG01DV5G |
| Chemical Name | 2-(3-bromo-4-chlorophenyl)-2-hydroxyacetic acid |
| IUPAC Name | 2-(3-bromo-4-chlorophenyl)-2-hydroxyacetic acid |
| InChI | InChI=1S/C8H6BrClO3/c9-5-3-4(1-2-6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13) |
| InChI Key | BLQLDUGKXMFTKB-UHFFFAOYSA-N |
| MDL Number | MFCD18390519 |
| Molecular Formula | C8H6BrClO3 |
| Molecular Weight | 265.4884 |
| SMILES | OC(C1=CC(Br)=C(Cl)C=C1)C(O)=O |
| Synonyms | 2-(3-bromo-4-chlorophenyl)-2-hydroxyacetic acid,
1261552-11-7,
3-Bromo-4-chloromandelic acid,
AKOS017552590,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.487g/mol |
| Monoisotopic Mass | 263.919g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number