| CAS Number | 389606-51-3 |
| Catalog Number | AG00D5TP(AGN-PC-03OMPO) |
| Chemical Name | 2-chloro-4-[(2,2,2-trifluoroethyl)amino]pyrimidine-5-carbonitrile |
| IUPAC Name | 2-chloro-4-(2,2,2-trifluoroethylamino)pyrimidine-5-carbonitrile |
| InChI | InChI=1S/C7H4ClF3N4/c8-6-13-2-4(1-12)5(15-6)14-3-7(9,10)11/h2H,3H2,(H,13,14,15) |
| InChI Key | CTKRVIHFYPWMFX-UHFFFAOYSA-N |
| MDL Number | MFCD23697507 |
| Molecular Formula | C7H4ClF3N4 |
| Molecular Weight | 236.5817 |
| SMILES | ClC1(=NC(NCC(F)(F)F)=C(C#N)C=N1) |
| Synonyms | 389606-51-3,
2-chloro-4-[(2,2,2-trifluoroethyl)amino]pyrimidine-5-carbonitrile,
2-Chloro-4-[(2,2,2-trifluoroethyl)-amino]pyrimidine-5-carbonitrile,
2-Chloro-4-((2,2,2-trifluoroethyl)amino)pyrimidine-5-carbonitrile,
SCHEMBL4766382,
KS-00001QBM,
ZX-RL000512,
2317AE,
MFCD23697507,
ZINC91294588,
AKOS015996966,
SS-4593,
PC200057,
C7H4ClF3N4,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.582g/mol |
| Monoisotopic Mass | 236.008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number