Name: Name:1-(4-nitrophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Brand: Angene
SKU: AG019LNK
Rating: 90 (10 reviews)

1-(4-nitrophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

CAS No.:

65973-99-1

Catalog Number:

AG019LNK

Molecular Formula:

C11H7N5O3

Molecular Weight:

257.2050

Catalog Number:

AG019LNK

Chemical Name:

1-(4-nitrophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

CAS Number:

65973-99-1

Molecular Formula:

C11H7N5O3

Molecular Weight:

257.2050

MDL Number:

MFCD09971577

IUPAC Name:

1-(4-nitrophenyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one

InChI:

InChI=1S/C11H7N5O3/c17-11-9-5-14-15(10(9)12-6-13-11)7-1-3-8(4-2-7)16(18)19/h1-6H,(H,12,13,17)

InChI Key:

YFCXTXUHSLKPHQ-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(cc1)n1ncc2c1nc[nH]c2=O

Complexity:

413

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.209g/mol

Monoisotopic Mass:

257.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

105A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8