| CAS Number | 1876944-81-8 |
| Catalog Number | AG01FPJ9(AGN-PC-3H5OPL) |
| Chemical Name | 1-(3-Bromopyridin-2-yl)cyclopropanecarbonitrile |
| IUPAC Name | 1-(3-bromopyridin-2-yl)cyclopropane-1-carbonitrile |
| InChI | InChI=1S/C9H7BrN2/c10-7-2-1-5-12-8(7)9(6-11)3-4-9/h1-2,5H,3-4H2 |
| InChI Key | QADYZSDMZMKJHT-UHFFFAOYSA-N |
| MDL Number | MFCD29059171 |
| Molecular Formula | C9H7BrN2 |
| Molecular Weight | 223.0693 |
| SMILES | N#CC1(C2=NC=CC=C2Br)CC1 |
| Synonyms | 1-(3-Bromopyridin-2-yl)cyclopropanecarbonitrile,
1876944-81-8,
1-(3-bromopyridin-2-yl)cyclopropane-1-carbonitrile,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.97926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.07g/mol |
| Monoisotopic Mass | 221.97926g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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