| CAS Number | 1355247-94-7 |
| Catalog Number | AG009X0P |
| Chemical Name | 3-(4-Chlorophenyl)pyridine-2-carbonitrile |
| IUPAC Name | 3-(4-chlorophenyl)pyridine-2-carbonitrile |
| InChI | InChI=1S/C12H7ClN2/c13-10-5-3-9(4-6-10)11-2-1-7-15-12(11)8-14/h1-7H |
| InChI Key | GVWASMAZWFRZLO-UHFFFAOYSA-N |
| MDL Number | MFCD21333047 |
| Molecular Formula | C12H7ClN2 |
| Molecular Weight | 214.6504 |
| SMILES | N#Cc1ncccc1c1ccc(cc1)Cl |
| Synonyms | 3-(4-Chlorophenyl)pyridine-2-carbonitrile,
1355247-94-7,
ACMC-209c2w,
CTK8B0421,
DTXSID80742799,
ANW-19926,
MFCD21333047,
ZINC85476936,
CJ-22386,
TC-108671,
V2476,
B-9772,
C12H7ClN2,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.652g/mol |
| Monoisotopic Mass | 214.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number