| CAS Number | 681240-18-6 |
| Catalog Number | AG01EMUI(AGN-PC-0TRCLM) |
| Chemical Name | 2,2-Difluoro-3-hydroxy-3-phenylpropanoic acid |
| IUPAC Name | 2,2-difluoro-3-hydroxy-3-phenylpropanoic acid |
| InChI | InChI=1S/C9H8F2O3/c10-9(11,8(13)14)7(12)6-4-2-1-3-5-6/h1-5,7,12H,(H,13,14) |
| InChI Key | LUTWVXSKIQMZHU-UHFFFAOYSA-N |
| MDL Number | MFCD16749743 |
| Molecular Formula | C9H8F2O3 |
| Molecular Weight | 202.1548 |
| SMILES | OC(C(C(O)=O)(F)F)C1=CC=CC=C1 |
| Synonyms | SCHEMBL15114536,
AKOS011684974,
2,2-difluoro-3-hydroxy-3-phenylpropanoic acid,
alpha,alpha-Difluoro-beta-hydroxybenzenepropanoic acid,
681240-18-6,
CID11637029,
2,2-difluoro-3-hydroxy-3-phenyl-propanoic Acid,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.157g/mol |
| Monoisotopic Mass | 202.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number