| CAS Number | 1192064-60-0 |
| Catalog Number | AG000IDQ(AGN-PC-0WAM0L) |
| Chemical Name | 6-Chloro-2-methylpyrimidine-4-carbonitrile |
| IUPAC Name | 6-chloro-2-methylpyrimidine-4-carbonitrile |
| InChI | InChI=1S/C6H4ClN3/c1-4-9-5(3-8)2-6(7)10-4/h2H,1H3 |
| InChI Key | QKZFSEQCFIUHFN-UHFFFAOYSA-N |
| MDL Number | MFCD22398521 |
| Molecular Formula | C6H4ClN3 |
| Molecular Weight | 153.5691 |
| SMILES | CC1=NC(C#N)=CC(Cl)=N1 |
| Synonyms | 6-chloro-2-methylpyrimidine-4-carbonitrile,
1192064-60-0,
6-Chloro-2-methyl-4-pyrimidinecarbonitrile,
SCHEMBL1163396,
QKZFSEQCFIUHFN-UHFFFAOYSA-N,
KS-000000GM,
MFCD22398521,
ZINC98091045,
AKOS030228707,
DA-14728,
ST1141070,
4-Pyrimidinecarbonitrile,6-chloro-2-methyl-,
FT-0769122,
4-Pyrimidinecarbonitrile, 6-chloro-2-methyl-,
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.569g/mol |
| Monoisotopic Mass | 153.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number