| CAS Number | 1565845-63-7 |
| Catalog Number | AG00ISA6(AGN-PC-0WAZEK) |
| Chemical Name | (1S)-1-[3-(4-Chlorophenyl)-1,2-oxazol-5-yl]ethan-1-ol |
| IUPAC Name | (1S)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol |
| InChI | InChI=1S/C11H10ClNO2/c1-7(14)11-6-10(13-15-11)8-2-4-9(12)5-3-8/h2-7,14H,1H3/t7-/m0/s1 |
| InChI Key | SQYVFTREWNTIKO-ZETCQYMHSA-N |
| MDL Number | MFCD27957329 |
| Molecular Formula | C11H10ClNO2 |
| Molecular Weight | 223.6556 |
| SMILES | ClC2(=CC=C(C1(=NOC(=C1)C(O)C))C=C2) |
| Synonyms | (1S)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethan-1-ol,
1565845-63-7,
AC1OERIZ,
(S)-1-(3-(4-Chlorophenyl)isoxazol-5-yl)ethanol,
KS-00001Q2V,
ZINC3883369,
AKOS026674876,
EH-0731,
OR310509,
(1S)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol,
ZINC03883369,
CID7062081,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.656g/mol |
| Monoisotopic Mass | 223.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number