| CAS Number | 668970-55-6 |
| Catalog Number | AG00FCLQ(AGN-PC-0TMGJW) |
| Chemical Name | 2-(4-Bromo-2-fluorophenyl)-2-hydroxyacetic acid |
| IUPAC Name | 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetic acid |
| InChI | InChI=1S/C8H6BrFO3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,11H,(H,12,13) |
| InChI Key | FAMRTHHQYMFCBD-UHFFFAOYSA-N |
| MDL Number | MFCD03789127 |
| Molecular Formula | C8H6BrFO3 |
| Molecular Weight | 249.0338 |
| SMILES | OC(C1=C(F)C=C(Br)C=C1)C(O)=O |
| Synonyms | 4-Bromo-2-fluoromandelic acid,
668970-55-6,
2-(4-bromo-2-fluorophenyl)-2-hydroxyacetic acid,
AC1MBUT5,
SCHEMBL1951023,
DTXSID50373670,
FAMRTHHQYMFCBD-UHFFFAOYSA-N,
FS-6045,
(4-bromo-2-fluorophenyl)(hydroxy)acetic acid,
CID2756981,
2-(4-bromo-2-fluoro-phenyl)-2-hydroxy-acetic Acid,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.035g/mol |
| Monoisotopic Mass | 247.948g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number