| CAS Number | 415686-74-7 |
| Catalog Number | AG00I846(AGN-PC-0KLZ26) |
| Chemical Name | 4-(3-Ethoxy-4-nitrophenyl)morpholine |
| IUPAC Name | 4-(3-ethoxy-4-nitrophenyl)morpholine |
| InChI | InChI=1S/C12H16N2O4/c1-2-18-12-9-10(3-4-11(12)14(15)16)13-5-7-17-8-6-13/h3-4,9H,2,5-8H2,1H3 |
| InChI Key | XPJPHQASENFHGZ-UHFFFAOYSA-N |
| MDL Number | MFCD00812638 |
| Molecular Formula | C12H16N2O4 |
| Molecular Weight | 252.2664 |
| SMILES | CCOc1cc(ccc1[N+](=O)[O-])N1CCOCC1 |
| Synonyms | 4-(3-ethoxy-4-nitrophenyl)morpholine,
415686-74-7,
4-(3-Ethoxy-4-nitro-phenyl)-morpholine,
AC1MDQ96,
Cambridge id 5315082,
Oprea1_118459,
SCHEMBL4574886,
ZINC3880411,
MFCD00812638,
AKOS003233474,
MCULE-1424169763,
Morpholine, 4-(3-ethoxy-4-nitrophenyl)-,
AB00080314-01,
SR-01000204226,
SR-01000204226-1,
ZINC03880411,
CID2841096,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.27g/mol |
| Monoisotopic Mass | 252.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number