| CAS Number | 199292-93-8 |
| Catalog Number | AG019UZE(AGN-PC-03NH4H) |
| Chemical Name | 5-CHLORO-2-(PIPERIDIN-4-YL)-1,3-BENZOXAZOLE |
| IUPAC Name | 5-chloro-2-piperidin-4-yl-1,3-benzoxazole |
| InChI | InChI=1S/C12H13ClN2O/c13-9-1-2-11-10(7-9)15-12(16-11)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2 |
| InChI Key | CTXQQZDBUIIQFM-UHFFFAOYSA-N |
| MDL Number | MFCD10690319 |
| Molecular Formula | C12H13ClN2O |
| Molecular Weight | 236.6974 |
| SMILES | ClC1=CC2=C(OC(C3CCNCC3)=N2)C=C1 |
| Synonyms | 5-chloro-2-(piperidin-4-yl)-1,3-benzoxazole,
199292-93-8,
AC1Q3KLR,
SCHEMBL4712528,
CTK6H2114,
CTXQQZDBUIIQFM-UHFFFAOYSA-N,
ZINC32625202,
AKOS005202496,
MCULE-8798518135,
NE30912,
5-chloro-2-piperidin-4-yl-benzooxazole,
EN300-43299,
AB00999786-01,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.699g/mol |
| Monoisotopic Mass | 236.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number