Name: Name:4,6-dichloro-1-(3-methoxybenzyl)-1H-pyrazolo[3,4-d]pyrimidine
Brand: Angene
SKU: AG01DJN0
Rating: 90 (10 reviews)

4,6-dichloro-1-(3-methoxybenzyl)-1H-pyrazolo[3,4-d]pyrimidine

CAS No.:

1184913-85-6

Catalog Number:

AG01DJN0

Molecular Formula:

C13H10Cl2N4O

Molecular Weight:

309.1507

Catalog Number:

AG01DJN0

Chemical Name:

4,6-dichloro-1-(3-methoxybenzyl)-1H-pyrazolo[3,4-d]pyrimidine

CAS Number:

1184913-85-6

Molecular Formula:

C13H10Cl2N4O

Molecular Weight:

309.1507

MDL Number:

MFCD12405951

IUPAC Name:

4,6-dichloro-1-[(3-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine

InChI:

InChI=1S/C13H10Cl2N4O/c1-20-9-4-2-3-8(5-9)7-19-12-10(6-16-19)11(14)17-13(15)18-12/h2-6H,7H2,1H3

InChI Key:

XIPXHFGQISZWCO-UHFFFAOYSA-N

SMILES:

COc1cccc(c1)Cn1ncc2c1nc(Cl)nc2Cl

Complexity:

336

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

308.023g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

309.15g/mol

Monoisotopic Mass:

308.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7