| CAS Number | 1783371-72-1 |
| Catalog Number | AG00HZTF(AGN-PC-0WQWUE) |
| Chemical Name | 2-Methoxy-4-(morpholin-4-yl)benzonitrile |
| IUPAC Name | 2-methoxy-4-morpholin-4-ylbenzonitrile |
| InChI | InChI=1S/C12H14N2O2/c1-15-12-8-11(3-2-10(12)9-13)14-4-6-16-7-5-14/h2-3,8H,4-7H2,1H3 |
| InChI Key | QXMLGLOAMFVYRC-UHFFFAOYSA-N |
| MDL Number | MFCD29764395 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | COc1cc(ccc1C#N)N1CCOCC1 |
| Synonyms | 2-Methoxy-4-(morpholin-4-yl)benzonitrile,
1783371-72-1,
ZINC215597159,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.256g/mol |
| Monoisotopic Mass | 218.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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