| CAS Number | 1251003-11-8 |
| Catalog Number | AG00HHZN(AGN-PC-0WD73R) |
| Chemical Name | 3-Bromo-Imidazo[1,5-A]Pyrimidine-8-Carboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate |
| InChI | InChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-8-11-3-6(10)4-13(8)5-12-7/h3-5H,2H2,1H3 |
| InChI Key | FTBIIQQYFCUUKD-UHFFFAOYSA-N |
| MDL Number | MFCD14581536 |
| Molecular Formula | C9H8BrN3O2 |
| Molecular Weight | 270.0827 |
| SMILES | CCOC(C1=C2N(C=C(C=N2)Br)C=N1)=O |
| Synonyms | 1251003-11-8,
3-Bromo-imidazo[1,5-a]pyrimidine-8-carboxylic acid ethyl ester,
Ethyl 3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate,
ethyl3-bromoimidazo[1,5-a]pyrimidine-8-carboxylate,
2213AJ,
MFCD14581536,
ZINC89210823,
SB15851,
AM805308,
CS-0038395,
3-Bromo-imidazo[1,5-a]pyrimidine-8-carboxylicacidethylester,
imidazo[1,5-a]pyrimidine-8-carboxylic acid,3-bromo-,ethyl ester,
C9H8BrN3O2,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.086g/mol |
| Monoisotopic Mass | 268.98g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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