| CAS Number | 1260762-06-8 |
| Catalog Number | AG000R55(AGN-PC-0WAA1N) |
| Chemical Name | 4-Bromo-2-(morpholin-4-yl)benzonitrile |
| IUPAC Name | 4-bromo-2-morpholin-4-ylbenzonitrile |
| InChI | InChI=1S/C11H11BrN2O/c12-10-2-1-9(8-13)11(7-10)14-3-5-15-6-4-14/h1-2,7H,3-6H2 |
| InChI Key | SEDCSLWVDKMJCF-UHFFFAOYSA-N |
| MDL Number | MFCD11037539 |
| Molecular Formula | C11H11BrN2O |
| Molecular Weight | 267.1218 |
| SMILES | C1COCCN1C2=C(C=CC(=C2)Br)C#N |
| Synonyms | 4-Bromo-2-(morpholin-4-yl)benzonitrile,
1260762-06-8,
4-bromo-2-morpholinobenzonitrile,
ACMC-209b1e,
SCHEMBL16094742,
CTK8A9615,
DTXSID20742692,
SEDCSLWVDKMJCF-UHFFFAOYSA-N,
KS-000022LN,
ANW-18576,
MFCD11037539,
ZINC85476713,
AKOS025404082,
AS-3005,
Benzonitrile, 4-bromo-2-(4-morpholinyl)-,
TC-107321,
Z9033,
B-8740,
C11H11BrN2O,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.126g/mol |
| Monoisotopic Mass | 266.005g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H302-H312-H315-H319-H332-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P280-P304+P340-P305+P351+P338-P405-P501a
|
|
UN Code
|
UN 3439
|
Certificate of Analysis
Lot Number