| CAS Number | 1542340-73-7 |
| Catalog Number | AG00J2XC(AGN-PC-0WRAS4) |
| Chemical Name | 3-bromo-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine |
| IUPAC Name | 3-bromo-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine |
| InChI | InChI=1S/C7H10BrN3/c1-5-6(8)7-9-3-2-4-11(7)10-5/h9H,2-4H2,1H3 |
| InChI Key | JCQAOQOBVAKCKR-UHFFFAOYSA-N |
| MDL Number | MFCD22398252 |
| Molecular Formula | C7H10BrN3 |
| Molecular Weight | 216.0784 |
| SMILES | C12NCCCN1N=C(C)C=2Br |
| Synonyms | 3-Bromo-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine,
1542340-73-7,
MFCD22398252,
ZINC84236767,
AKOS023400215,
Z2787257096,
3-bromo-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.082g/mol |
| Monoisotopic Mass | 215.006g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number