5-Chloro-4-(chloromethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one - CAS 938001-12-8
Catalog: |
BB048908 |
Product Name: |
5-Chloro-4-(chloromethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one |
CAS: |
938001-12-8 |
Synonyms: |
5-chloro-4-(chloromethyl)-3-methyl-1-phenyl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one; 5-chloro-4-(chloromethyl)-3-methyl-1-phenyl-7-hydropyrazolo[5,4-b]pyridin-6-one; 6H-Pyrazolo[3,4-b]pyridin-6-one, 5-chloro-4-(chloromethyl)-1,7-dihydro-3-methyl-1-phenyl-; 5-chloro-4-(chloromethyl)-3-methyl-1-phenyl-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one |
IUPAC Name: | 5-chloro-4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[3,4-b]pyridin-6-one |
Description: | 5-Chloro-4-(chloromethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one (CAS# 938001-12-8 ) is a useful research chemical. |
Molecular Weight: | 308.16 |
Molecular Formula: | C14H11Cl2N3O |
Canonical SMILES: | CC1=NN(C2=C1C(=C(C(=O)N2)Cl)CCl)C3=CC=CC=C3 |
InChI: | InChI=1S/C14H11Cl2N3O/c1-8-11-10(7-15)12(16)14(20)17-13(11)19(18-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,17,20) |
InChI Key: | COWKZUWLYVXPHW-UHFFFAOYSA-N |
Boiling Point: | 511.4±50.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 434 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 307.0279174 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.0279174 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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