| CAS Number | 54660-14-9 |
| Catalog Number | AG00DFLG(AGN-PC-0WCBIX) |
| Chemical Name | 4-(6-Chloro-5-nitropyrimidin-4-yl)morpholine |
| IUPAC Name | 4-(6-chloro-5-nitropyrimidin-4-yl)morpholine |
| InChI | InChI=1S/C8H9ClN4O3/c9-7-6(13(14)15)8(11-5-10-7)12-1-3-16-4-2-12/h5H,1-4H2 |
| InChI Key | MIPDXPRZNICKKZ-UHFFFAOYSA-N |
| MDL Number | MFCD07440209 |
| Molecular Formula | C8H9ClN4O3 |
| Molecular Weight | 244.6351 |
| SMILES | O=[N+](C1=C(Cl)N=CN=C1N2CCOCC2)[O-] |
| Synonyms | 4-(6-chloro-5-nitropyrimidin-4-yl)morpholine,
54660-14-9,
IFLAB-BB F2124-0140,
AC1OGDPH,
C8H9ClN4O3,
CTK6H4286,
DTXSID00428068,
ZINC4243347,
5394AE,
SBB055921,
AKOS002663714,
AJ-49567,
DB-071883,
FT-0762547,
ZINC04243347,
CID7147229,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.635g/mol |
| Monoisotopic Mass | 244.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number