| CAS Number | 1005209-42-6 |
| Catalog Number | AG00028S(AGN-PC-086G0K) |
| Chemical Name | Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 6-bromo-, ethyl ester |
| IUPAC Name | ethyl 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylate |
| InChI | InChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-3-8-11-4-6(10)5-13(8)12-7/h3-5H,2H2,1H3 |
| InChI Key | UCXUKJGNOMCPFD-UHFFFAOYSA-N |
| MDL Number | MFCD11616111 |
| Molecular Formula | C9H8BrN3O2 |
| Molecular Weight | 270.0827 |
| SMILES | O=C(C1=NN2C=C(Br)C=NC2=C1)OCC |
| Synonyms | ETHYL 6-BROMOPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLATE,
1005209-42-6,
SCHEMBL1080204,
DTXSID60678365,
MFCD11616111,
ZINC79033827,
AKOS016012744,
AB64342,
AS-36273,
QC-10377,
AJ-122902,
Z2719319857,
Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 6-bromo-, ethyl ester,
Ethyl6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylate,
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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 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number