| CAS Number | 114834-03-6 |
| Catalog Number | AG01DTCI(AGN-PC-0N7UZ5) |
| Chemical Name | 2-chloro-4-(1H-imidazol-1-yl)pyrimidine |
| IUPAC Name | 2-chloro-4-imidazol-1-ylpyrimidine |
| InChI | InChI=1S/C7H5ClN4/c8-7-10-2-1-6(11-7)12-4-3-9-5-12/h1-5H |
| InChI Key | AJNAMVHKXSFJFJ-UHFFFAOYSA-N |
| MDL Number | MFCD09756941 |
| Molecular Formula | C7H5ClN4 |
| Molecular Weight | 180.5944 |
| SMILES | ClC1=NC(N2C=NC=C2)=CC=N1 |
| Synonyms | 2-chloro-4-(1H-imidazol-1-yl)pyrimidine,
114834-03-6,
SCHEMBL8192197,
2-chloro-4-imidazolylpyrimidine,
CTK6H4185,
AJNAMVHKXSFJFJ-UHFFFAOYSA-N,
MFCD09756941,
SBB054493,
ZINC19926738,
2-chloro-4-(1-imidazolyl)pyrimidine,
AKOS011628147,
AS-8048,
KS-00003H76,
Pyrimidine, 2-chloro-4-(1H-imidazol-1-yl)-,
AR-527/43405046,
2-chloro-4-imidazol-1-yl-pyrimidine,
CID10631238,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.595g/mol |
| Monoisotopic Mass | 180.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number