3-Chloro-5-(Chloromethyl)-1-Ethylpyrazolo[1,5-A]Pyrimidin-7(1H)-One - CAS 1018165-94-0
Catalog: |
BB052792 |
Product Name: |
3-Chloro-5-(Chloromethyl)-1-Ethylpyrazolo[1,5-A]Pyrimidin-7(1H)-One |
CAS: |
1018165-94-0 |
Synonyms: |
3-chloro-5-(chloromethyl)-1-ethylpyrazolo[1,5-a]pyrimidin-7(1H)-one |
IUPAC Name: | 3-chloro-5-(chloromethyl)-1-ethylpyrazolo[1,5-a]pyrimidin-7-one |
Molecular Weight: | 246.09 |
Molecular Formula: | C9H9Cl2N3O |
Canonical SMILES: | CCN1C=C(C2=NC(=CC(=O)N21)CCl)Cl |
InChI: | InChI=1S/C9H9Cl2N3O/c1-2-13-5-7(11)9-12-6(4-10)3-8(15)14(9)13/h3,5H,2,4H2,1H3 |
InChI Key: | ISURLYJPSWYKRW-UHFFFAOYSA-N |
Boiling Point: | 320.9±52.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.0122673 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.0122673 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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