Name: Name:1-[(2,4-dichlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-ol
Brand: Angene
SKU: AG01A0SH
Rating: 90 (10 reviews)

1-[(2,4-dichlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-ol

CAS No.:

125240-57-5

Catalog Number:

AG01A0SH

Molecular Formula:

C12H8Cl2N4O

Molecular Weight:

295.1241

Catalog Number:

AG01A0SH

Chemical Name:

1-[(2,4-dichlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-ol

CAS Number:

125240-57-5

Molecular Formula:

C12H8Cl2N4O

Molecular Weight:

295.1241

MDL Number:

MFCD01038808

IUPAC Name:

1-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one

InChI:

InChI=1S/C12H8Cl2N4O/c13-8-2-1-7(10(14)3-8)5-18-11-9(4-17-18)12(19)16-6-15-11/h1-4,6H,5H2,(H,15,16,19)

InChI Key:

NBGZIYOCPHNYOG-UHFFFAOYSA-N

SMILES:

Clc1ccc(c(c1)Cl)Cn1ncc2c1ncnc2O

Complexity:

392

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

294.008g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

295.123g/mol

Monoisotopic Mass:

294.008g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6