| CAS Number | 1798331-92-6 |
| Catalog Number | AG01EO3P(AGN-PC-3H466O) |
| Chemical Name | QX77 |
| IUPAC Name | N-[4-(7-chloro-2H-1,4-benzoxazin-3-yl)phenyl]acetamide |
| InChI | InChI=1S/C16H13ClN2O2/c1-10(20)18-13-5-2-11(3-6-13)15-9-21-16-8-12(17)4-7-14(16)19-15/h2-8H,9H2,1H3,(H,18,20) |
| InChI Key | PYCTUCLCTVWILY-UHFFFAOYSA-N |
| MDL Number | MFCD31657441 |
| Molecular Formula | C16H13ClN2O2 |
| Molecular Weight | 300.7396 |
| SMILES | ClC=1C=CC2=C(OCC(=N2)C2=CC=C(C=C2)NC(C)=O)C1 |
| Synonyms | QX77,
1798331-92-6,
N-(4-(7-chloro-2H-benzo[b][1,4]oxazin-3-yl)phenyl)acetamide,
SCHEMBL16781475,
PYCTUCLCTVWILY-UHFFFAOYSA-N,
QX-77,
HY-112483,
CS-0046112,
|
| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.742g/mol |
| Monoisotopic Mass | 300.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number