| CAS Number | 98440-51-8 |
| Catalog Number | AG00ITQ2(AGN-PC-0KV54P) |
| Chemical Name | 1-(5-morpholino-2-nitrophenyl)-1-ethanone |
| IUPAC Name | 1-(5-morpholin-4-yl-2-nitrophenyl)ethanone |
| InChI | InChI=1S/C12H14N2O4/c1-9(15)11-8-10(2-3-12(11)14(16)17)13-4-6-18-7-5-13/h2-3,8H,4-7H2,1H3 |
| InChI Key | QDBHDRNQTORPRV-UHFFFAOYSA-N |
| MDL Number | MFCD03787323 |
| Molecular Formula | C12H14N2O4 |
| Molecular Weight | 250.2506 |
| SMILES | O=[N+]([O-])C2(=C(C(=O)C)C=C(N1(CCOCC1))C=C2) |
| Synonyms | 1-(5-morpholino-2-nitrophenyl)-1-ethanone,
98440-51-8,
1-[5-(morpholin-4-yl)-2-nitrophenyl]ethan-1-one,
AC1MQSBN,
MLS000763813,
SCHEMBL341354,
CHEMBL1500915,
HMS2706B17,
KS-00001W1B,
ZINC4052174,
AKOS005090781,
MCULE-9448248178,
SMR000336445,
2'-nitro-5'-(morpholin-4-yl)acetophenone,
1-(5-morpholin-4-yl-2-nitrophenyl)ethanone,
3W-0356,
5-Morpholino-2-nitroacetophenone,
ZINC04052174,
CID3481687,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.254g/mol |
| Monoisotopic Mass | 250.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number