| CAS Number | 1801335-02-3 |
| Catalog Number | AG0021PL(AGN-PC-0WCSNA) |
| Chemical Name | 4-Chloro-2-(5-chloro-2-fluorophenyl)-5-(prop-1-en-2-yl)pyridine |
| IUPAC Name | 4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine |
| InChI | InChI=1S/C14H10Cl2FN/c1-8(2)11-7-18-14(6-12(11)16)10-5-9(15)3-4-13(10)17/h3-7H,1H2,2H3 |
| InChI Key | LICNVQCUUJKYJN-UHFFFAOYSA-N |
| MDL Number | MFCD28400612 |
| Molecular Formula | C12H9ClFN3 |
| Molecular Weight | 249.6714 |
| SMILES | CC(=C)C1=CN=C(N=C1Cl)C1=NC=CC=C1F |
| Synonyms | 4-Chloro-2-(5-chloro-2-fluorophenyl)-5-(prop-1-en-2-yl)pyridine,
1801335-02-3,
SCHEMBL16879504,
MFCD28400612,
AKOS025404679,
ZINC253533244,
AK174140,
AS-48457,
4-chloro-2-(5-chloro-2-fluorophenyl)-5-prop-1-en-2-ylpyridine,
Pyridine, 4-chloro-2-(5-chloro-2-fluorophenyl)-5-(1-methylethenyl)-,
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| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.139g/mol |
| Monoisotopic Mass | 281.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
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Certificate of Analysis
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