| CAS Number | 1008451-56-6 |
| Catalog Number | AG009494(AGN-PC-0WB61O) |
| Chemical Name | 4-Chloro-2-methoxypyridine-3-carbonitrile |
| IUPAC Name | 4-chloro-2-methoxypyridine-3-carbonitrile |
| InChI | InChI=1S/C7H5ClN2O/c1-11-7-5(4-9)6(8)2-3-10-7/h2-3H,1H3 |
| InChI Key | HIDUGVUFJNHNBR-UHFFFAOYSA-N |
| MDL Number | MFCD14585278 |
| Molecular Formula | C7H5ClN2O |
| Molecular Weight | 168.5804 |
| SMILES | COc1nccc(c1C#N)Cl |
| Synonyms | 4-chloro-2-methoxypyridine-3-carbonitrile,
1008451-56-6,
4-chloro-2-methoxynicotinonitrile,
SCHEMBL441301,
HIDUGVUFJNHNBR-UHFFFAOYSA-N,
ZX-CM010168,
4-chloro-2-methoxy-3-cyanopyridine,
4-Chloro-3-cyano-2-methoxypyridine,
MFCD14585278,
ZINC40449832,
AKOS025404059,
FCH1169866,
BP-11624,
OR323180,
FT-0725326,
Z6320,
Y-7450,
C7H5ClN2O,
4-chloro-2-methoxypyridine-3-carbonitrile, 95% - 1G 1g,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.58g/mol |
| Monoisotopic Mass | 168.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number