| CAS Number | 1823331-38-9 |
| Catalog Number | AG0023NJ(AGN-PC-0WD8Q3) |
| Chemical Name | 2H-Pyrazolo[4,3-d]pyrimidine, 5,7-dichloro-2-ethyl- |
| IUPAC Name | 5,7-dichloro-2-ethylpyrazolo[4,3-d]pyrimidine |
| InChI | InChI=1S/C7H6Cl2N4/c1-2-13-3-4-5(12-13)6(8)11-7(9)10-4/h3H,2H2,1H3 |
| InChI Key | BWHAJCRXKMRHKV-UHFFFAOYSA-N |
| MDL Number | MFCD27987095 |
| Molecular Formula | C7H6Cl2N4 |
| Molecular Weight | 217.0553 |
| SMILES | CCN1N=C2C(N=C(Cl)N=C2Cl)=C1 |
| Synonyms | 5,7-dichloro-2-ethyl-2H-pyrazolo[4,3-d]pyrimidine,
1823331-38-9,
SCHEMBL18359322,
KS-000004LU,
MFCD27987095,
AKOS030238498,
ZINC169798993,
SB12101,
AS-34056,
CS-0050722,
2H-Pyrazolo[4,3-d]pyrimidine, 5,7-dichloro-2-ethyl-,
1357087-31-0,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.053g/mol |
| Monoisotopic Mass | 215.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^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