| CAS Number | 87294-97-1 |
| Catalog Number | AG004LR5(AGN-PC-00SGXI) |
| Chemical Name | 4-(Morpholine-4-carbonyl)benzonitrile |
| IUPAC Name | 4-(morpholine-4-carbonyl)benzonitrile |
| InChI | InChI=1S/C12H12N2O2/c13-9-10-1-3-11(4-2-10)12(15)14-5-7-16-8-6-14/h1-4H,5-8H2 |
| InChI Key | YAKOUCKNNNLXIH-UHFFFAOYSA-N |
| MDL Number | MFCD02293747 |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.2359 |
| SMILES | O=C(C1=CC=C(C#N)C=C1)N1CCOCC1 |
| Synonyms | 4-(morpholin-4-ylcarbonyl)benzonitrile,
87294-97-1,
4-(morpholine-4-carbonyl)benzonitrile,
EN300-26753,
AC1Q5KBV,
CTK5F8186,
4-Isocyanobenzoic acid morpholide,
DTXSID20581760,
4-(Morpholinocarbonyl)benzonitrile,
ZINC8983766,
AKOS000199509,
MCULE-4663578773,
NE12092,
4-[(morpholin-4-yl)carbonyl]benzonitrile,
BC4116139,
Z31721383,
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| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.24g/mol |
| Monoisotopic Mass | 216.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number