| CAS Number | 714962-04-6 |
| Catalog Number | AG01DWMF(AGN-PC-0LPWHF) |
| Chemical Name | (6-chloro-pyrimidin-4-yl)-(4-trifluoromethoxy-phenyl)-amine |
| IUPAC Name | 6-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine |
| InChI | InChI=1S/C11H7ClF3N3O/c12-9-5-10(17-6-16-9)18-7-1-3-8(4-2-7)19-11(13,14)15/h1-6H,(H,16,17,18) |
| InChI Key | XQKICFGZSQFAOB-UHFFFAOYSA-N |
| MDL Number | MFCD10000667 |
| Molecular Formula | C11H7ClF3N3O |
| Molecular Weight | 289.6410 |
| SMILES | ClC1=CC(=NC=N1)NC1=CC=C(C=C1)OC(F)(F)F |
| Synonyms | (6-chloro-pyrimidin-4-yl)-(4-trifluoromethoxy-phenyl)-amine,
714962-04-6,
SCHEMBL925183,
XQKICFGZSQFAOB-UHFFFAOYSA-N,
AKOS010530603,
DB-095545,
(6-chloropyrimidin-4-yl)-(4-trifluoromethoxyphenyl)-amine,
6-chloro-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine,
(4-Chloro-pyrimidin-6-yl)-(4-trifluoromethoxy-phenyl)-amine,
nchembio760-comp6,
AC1NSKR0,
CID5311508,
(6-chloropyrimidin-4-yl)-(3-trifluoromethoxyphenyl)-amine,
6-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.022974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.64g/mol |
| Monoisotopic Mass | 289.022974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number