| CAS Number | 13511-29-0 |
| Catalog Number | AG00HTVW(AGN-PC-0PKIJT) |
| Chemical Name | ethyl 2-(4-chlorophenyl)-2-hydroxyacetate |
| IUPAC Name | ethyl 2-(4-chlorophenyl)-2-hydroxyacetate |
| InChI | InChI=1S/C10H11ClO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9,12H,2H2,1H3 |
| InChI Key | NMKKKUVPOGMEJL-UHFFFAOYSA-N |
| MDL Number | MFCD00068980 |
| Molecular Formula | C10H11ClO3 |
| Molecular Weight | 214.6455 |
| SMILES | CCOC(=O)C(O)C1=CC=C(Cl)C=C1 |
| Synonyms | ETHYL 2-(4-CHLOROPHENYL)-2-HYDROXYACETATE,
13511-29-0,
(4-Chlorophenyl)-hydroxy-acetic acid ethyl ester,
Ethyl (4-chlorophenyl)(hydroxy)acetate,
ethyl 4-chloromandelate,
SCHEMBL2798571,
DTXSID40494969,
NMKKKUVPOGMEJL-UHFFFAOYSA-N,
AR2858,
MFCD00068980,
AKOS011496909,
AS-45461,
Hydroxy(4-chlorophenyl)acetic acid ethyl ester,
|
| Complexity | 188 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.645g/mol |
| Monoisotopic Mass | 214.04g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number