Name: Name:6-chloro-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Brand: Angene
SKU: AG01AI1U
Rating: 90 (10 reviews)

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

CAS No.:

6288-99-9

Catalog Number:

AG01AI1U

Molecular Formula:

C11H7ClN4O

Molecular Weight:

246.6525

Catalog Number:

AG01AI1U

Chemical Name:

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

CAS Number:

6288-99-9

Molecular Formula:

C11H7ClN4O

Molecular Weight:

246.6525

MDL Number:

MFCD18917258

IUPAC Name:

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

InChI:

InChI=1S/C11H7ClN4O/c12-11-14-9-8(10(17)15-11)6-13-16(9)7-4-2-1-3-5-7/h1-6H,(H,14,15,17)

InChI Key:

GMXPVUMJGVSVLG-UHFFFAOYSA-N

SMILES:

Clc1[nH]c(=O)c2c(n1)n(nc2)c1ccccc1

NSC Number:

11611

Complexity:

353

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.654g/mol

Monoisotopic Mass:

246.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1