| CAS Number | 1249633-28-0 |
| Catalog Number | AG01B85P(AGN-PC-0WOQA9) |
| Chemical Name | 2-(3-Chlorophenyl)-2-hydroxybutanoic acid |
| IUPAC Name | 2-(3-chlorophenyl)-2-hydroxybutanoic acid |
| InChI | InChI=1S/C10H11ClO3/c1-2-10(14,9(12)13)7-4-3-5-8(11)6-7/h3-6,14H,2H2,1H3,(H,12,13) |
| InChI Key | UBAZPZJVHDVJLY-UHFFFAOYSA-N |
| MDL Number | MFCD14601969 |
| Molecular Formula | C10H11ClO3 |
| Molecular Weight | 214.6455 |
| SMILES | CCC(C1=CC(Cl)=CC=C1)(C(O)=O)O |
| Synonyms | 2-(3-chlorophenyl)-2-hydroxybutanoic acid,
1249633-28-0,
MFCD14601969,
AKOS010488129,
BS-12498,
Z1998636256,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.645g/mol |
| Monoisotopic Mass | 214.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number