| CAS Number | 1250998-26-5 |
| Catalog Number | AG00HHY0(AGN-PC-0WG4Q2) |
| Chemical Name | Ethyl 2-chloroimidazo[1,5-a]pyrimidine-8-carboxylate |
| IUPAC Name | ethyl 2-chloroimidazo[1,5-a]pyrimidine-8-carboxylate |
| InChI | InChI=1S/C9H8ClN3O2/c1-2-15-9(14)7-8-12-6(10)3-4-13(8)5-11-7/h3-5H,2H2,1H3 |
| InChI Key | CMGUFWHUAWJDRJ-UHFFFAOYSA-N |
| MDL Number | MFCD14581531 |
| Molecular Formula | C9H8ClN3O2 |
| Molecular Weight | 225.6317 |
| SMILES | CCOC(=O)c1ncn2ccc(Cl)nc12 |
| Synonyms | Ethyl 2-chloroimidazo[1,5-a]pyrimidine-8-carboxylate,
1250998-26-5,
SCHEMBL14881666,
CMGUFWHUAWJDRJ-UHFFFAOYSA-N,
MFCD14581531,
SB16111,
CS-0039058,
imidazo[1,5-a]pyrimidine-8-carboxylic acid, 2-chloro-, ethyl ester,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.632g/mol |
| Monoisotopic Mass | 225.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number