| CAS Number | 879127-23-8 |
| Catalog Number | AG00JD14(AGN-PC-08YS3V) |
| Chemical Name | 2-Chloro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine |
| IUPAC Name | 2-chloro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine |
| InChI | InChI=1S/C11H7ClF3N3/c12-10-16-5-4-9(18-10)17-8-3-1-2-7(6-8)11(13,14)15/h1-6H,(H,16,17,18) |
| InChI Key | GDUOQVTYODIQLI-UHFFFAOYSA-N |
| MDL Number | MFCD11505045 |
| Molecular Formula | C11H7ClF3N3 |
| Molecular Weight | 273.6416 |
| SMILES | N1=C(Cl)N=C(NC2C=CC=C(C(F)(F)F)C=2)C=C1 |
| Synonyms | 2-Chloro-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine,
879127-23-8,
CTK6H4188,
ALBB-014574,
ZX-AN013297,
MFCD11505045,
SBB054524,
ZINC40448064,
AKOS005174855,
IMED976743543,
BB 0258369,
Z-1680,
(2-chloropyrimidin-4-yl)[3-(trifluoromethyl)phenyl]amine,
4-Pyrimidinamine, 2-chloro-N-[3-(trifluoromethyl)phenyl]-,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.643g/mol |
| Monoisotopic Mass | 273.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number