| CAS Number | 1258651-02-3 |
| Catalog Number | AG01AAPB(AGN-PC-0WO8B7) |
| Chemical Name | 5-(chloromethyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one |
| IUPAC Name | 5-(chloromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one |
| InChI | InChI=1S/C7H6ClN3O/c8-4-5-3-7(12)11-6(10-5)1-2-9-11/h1-3,9H,4H2 |
| InChI Key | AJTAVFSWJIJWLN-UHFFFAOYSA-N |
| MDL Number | MFCD17480377 |
| Molecular Formula | C7H6ClN3O |
| Molecular Weight | 183.5950 |
| SMILES | ClCC1NC2N(N=CC=2)C(=O)C=1 |
| Synonyms | 5-(chloromethyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one,
5-(Chloromethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one,
1258651-02-3,
AC1Q3U0Q,
SCHEMBL20515291,
AKOS023166300,
ZINC100620350,
NE33662,
CS-0080939,
EN300-69224,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.595g/mol |
| Monoisotopic Mass | 183.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number