| CAS Number | 1129540-92-6 |
| Catalog Number | AG00HCGF(AGN-PC-0WCYKR) |
| Chemical Name | 3-Bromo-5-morpholinobenzonitrile |
| IUPAC Name | 3-bromo-5-morpholin-4-ylbenzonitrile |
| InChI | InChI=1S/C11H11BrN2O/c12-10-5-9(8-13)6-11(7-10)14-1-3-15-4-2-14/h5-7H,1-4H2 |
| InChI Key | HRTGYUCAEDJNMR-UHFFFAOYSA-N |
| MDL Number | MFCD17926188 |
| Molecular Formula | C11H11BrN2O |
| Molecular Weight | 267.1218 |
| SMILES | BrC1=CC(=CC(=C1)C#N)N1CCOCC1 |
| Synonyms | 3-bromo-5-morpholinobenzonitrile,
1129540-92-6,
N-(3-BROMO-5-CYANO-PHENYL)-MORPHOLINE,
SCHEMBL3760756,
HRTGYUCAEDJNMR-UHFFFAOYSA-N,
ZINC66054531,
AS-35457,
AX8266432,
Benzonitrile, 3-bromo-5-(4-morpholinyl)-,
X-3852,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.00548g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.12g/mol |
| Monoisotopic Mass | 266.00548g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number