| CAS Number | 1427012-87-0 |
| Catalog Number | AG01FQFK(AGN-PC-3H5P9F) |
| Chemical Name | 1-(5-Chloropyridin-2-yl)cyclopropanecarbonitrile |
| IUPAC Name | 1-(5-chloropyridin-2-yl)cyclopropane-1-carbonitrile |
| InChI | InChI=1S/C9H7ClN2/c10-7-1-2-8(12-5-7)9(6-11)3-4-9/h1-2,5H,3-4H2 |
| InChI Key | DUHYHPLFWJCKAZ-UHFFFAOYSA-N |
| MDL Number | MFCD23134905 |
| Molecular Formula | C9H7ClN2 |
| Molecular Weight | 178.6183 |
| SMILES | N#CC1(CC1)c1ccc(cn1)Cl |
| Synonyms | 1427012-87-0,
1-(5-Chloropyridin-2-yl)cyclopropanecarbonitrile,
1-(5-chloropyridin-2-yl)cyclopropane-1-carbonitrile,
1-(5-Chloro-pyridin-2-yl)-cyclopropanecarbonitrile,
SCHEMBL15573387,
DUHYHPLFWJCKAZ-UHFFFAOYSA-N,
ZINC95094270,
ACN-038601,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.029776g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.62g/mol |
| Monoisotopic Mass | 178.029776g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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