| CAS Number | 485828-81-7 |
| Catalog Number | AG00I8SL(AGN-PC-0H69MG) |
| Chemical Name | 1-(5-Bromo-2-pyridinyl)-cyclobutanecarbonitrile |
| IUPAC Name | 1-(5-bromopyridin-2-yl)cyclobutane-1-carbonitrile |
| InChI | InChI=1S/C10H9BrN2/c11-8-2-3-9(13-6-8)10(7-12)4-1-5-10/h2-3,6H,1,4-5H2 |
| InChI Key | LXWAHEQTYXIWOL-UHFFFAOYSA-N |
| MDL Number | MFCD26406828 |
| Molecular Formula | C10H9BrN2 |
| Molecular Weight | 237.0959 |
| SMILES | BrC1=CN=C(C2(C#N)CCC2)C=C1 |
| Synonyms | 1-(5-BROMOPYRIDIN-2-YL)CYCLOBUTANECARBONITRILE,
485828-81-7,
Cyclobutanecarbonitrile, 1-(5-bromo-2-pyridinyl)-,
SCHEMBL877334,
LXWAHEQTYXIWOL-UHFFFAOYSA-N,
MFCD26406828,
ZINC95831192,
AS-42195,
X-2371,
1-(5-Bromo-2-pyridinyl)-cyclobutanecarbonitrile,
1-(5-bromo-pyridin-2-yl)-cyclobutanecarbonitrile,
1-(5-BROMOPYRIDIN-2-YL)CYCLOBUTANE-1-CARBONITRILE,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.1g/mol |
| Monoisotopic Mass | 235.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number