Name: Name:6-chloro-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidine
Brand: Angene
SKU: AG01AI1V
Rating: 90 (10 reviews)

6-chloro-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidine

CAS No.:

130024-05-4

Catalog Number:

AG01AI1V

Molecular Formula:

C11H9ClN4

Molecular Weight:

232.6690

Catalog Number:

AG01AI1V

Chemical Name:

6-chloro-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidine

CAS Number:

130024-05-4

Molecular Formula:

C11H9ClN4

Molecular Weight:

232.6690

MDL Number:

MFCD19381862

IUPAC Name:

6-chloro-1-phenyl-4,7-dihydropyrazolo[3,4-d]pyrimidine

InChI:

InChI=1S/C11H9ClN4/c12-11-13-6-8-7-14-16(10(8)15-11)9-4-2-1-3-5-9/h1-5,7H,6H2,(H,13,15)

InChI Key:

XNKXPYASJUEJSR-UHFFFAOYSA-N

SMILES:

ClC1=Nc2c(CN1)cnn2c1ccccc1

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.671g/mol

Monoisotopic Mass:

232.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1