| CAS Number | 923119-59-9 |
| Catalog Number | AG00GVXR(AGN-PC-0WB5BW) |
| Chemical Name | 2-chloro-5-fluoro-4-(1-pyrrolidinyl)pyrimidine |
| IUPAC Name | 2-chloro-5-fluoro-4-pyrrolidin-1-ylpyrimidine |
| InChI | InChI=1S/C8H9ClFN3/c9-8-11-5-6(10)7(12-8)13-3-1-2-4-13/h5H,1-4H2 |
| InChI Key | BDJGBPUMVHZREY-UHFFFAOYSA-N |
| MDL Number | MFCD09063015 |
| Molecular Formula | C8H9ClFN3 |
| Molecular Weight | 201.6286 |
| SMILES | N1=C(Cl)N=CC(F)=C1N1CCCC1 |
| Synonyms | 923119-59-9,
2-CHLORO-5-FLUORO-4-(1-PYRROLIDINYL)PYRIMIDINE,
2-chloro-5-fluoro-4-(pyrrolidin-1-yl)pyrimidine,
CTK5H1134,
DTXSID00587927,
ALBB-018242,
ZINC9295565,
MFCD09063015,
STK697446,
AKOS000422179,
MCULE-5218128839,
AJ-59498,
2-chloro-5-fluoro-4-pyrrolidinylpyrimidine,
ST4134555,
Y-5231,
pyrimidine, 2-chloro-5-fluoro-4-(1-pyrrolidinyl)-,
F1904-0093,
2-chloro-5-fluoro-4-(1-pyrrolidinyl)pyrimidine(SALTDATA,
2-Chloro-5-fluoro-4-(1-pyrrolidinyl)pyrimidine, AldrichCPR,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.629g/mol |
| Monoisotopic Mass | 201.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number