| CAS Number | 876918-66-0 |
| Catalog Number | AG004NS7(AGN-PC-0I8BK3) |
| Chemical Name | 5-Bromo-2-(pyrrolidino)benzonitrile |
| IUPAC Name | 5-bromo-2-pyrrolidin-1-ylbenzonitrile |
| InChI | InChI=1S/C11H11BrN2/c12-10-3-4-11(9(7-10)8-13)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2 |
| InChI Key | UJHOFSPIVIOCGB-UHFFFAOYSA-N |
| MDL Number | MFCD11039042 |
| Molecular Formula | C11H11BrN2 |
| Molecular Weight | 251.1224 |
| SMILES | BrC1=CC(C#N)=C(N2CCCC2)C=C1 |
| Synonyms | 5-Bromo-2-(pyrrolidin-1-yl)benzonitrile,
876918-66-0,
5-Bromo-2-(pyrrolidino)benzonitrile,
ACMC-209qpe,
SCHEMBL4454407,
CTK8B2541,
DTXSID50739595,
ANW-38880,
MFCD11039042,
ZINC82046452,
AKOS016001039,
CJ-22003,
AJ-124149,
TC-127625,
Benzonitrile, 5-bromo-2-(1-pyrrolidinyl)-,
ST24023905,
V8537,
B-8739,
C11H11BrN2,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.127g/mol |
| Monoisotopic Mass | 250.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number