| CAS Number | 501086-59-5 |
| Catalog Number | AG00DKFS(AGN-PC-0J0XLY) |
| Chemical Name | 5-Bromo-2-(dimethylamino)benzonitrile |
| IUPAC Name | 5-bromo-2-(dimethylamino)benzonitrile |
| InChI | InChI=1S/C9H9BrN2/c1-12(2)9-4-3-8(10)5-7(9)6-11/h3-5H,1-2H3 |
| InChI Key | BOIXBQJIMKVCCD-UHFFFAOYSA-N |
| MDL Number | MFCD21609719 |
| Molecular Formula | C9H9BrN2 |
| Molecular Weight | 225.0852 |
| SMILES | N#CC1=CC(Br)=CC=C1N(C)C |
| Synonyms | 5-Bromo-2-(dimethylamino)benzonitrile,
501086-59-5,
ACMC-209kk5,
CTK8B1758,
DTXSID60743087,
ANW-30915,
MFCD21609719,
ZINC85482129,
AKOS019066630,
FCH1566148,
BBV-43522286,
CJ-22504,
OR400620,
AX8271483,
TC-119660,
V6222,
C9H9BrN2,
B-8440,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.089g/mol |
| Monoisotopic Mass | 223.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number