Name: Name:2-{3-bromo-1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetic acid
Brand: Angene
SKU: AG01A9SK
Rating: 90 (10 reviews)

2-{3-bromo-1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetic acid

CAS No.:

1251924-18-1

Catalog Number:

AG01A9SK

Molecular Formula:

C8H7BrN4O3

Molecular Weight:

287.0702

Catalog Number:

AG01A9SK

Chemical Name:

2-{3-bromo-1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetic acid

CAS Number:

1251924-18-1

Molecular Formula:

C8H7BrN4O3

Molecular Weight:

287.0702

MDL Number:

MFCD16817439

IUPAC Name:

2-(3-bromo-1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetic acid

InChI:

InChI=1S/C8H7BrN4O3/c1-12-7-5(6(9)11-12)8(16)13(3-10-7)2-4(14)15/h3H,2H2,1H3,(H,14,15)

InChI Key:

PEFMXYOCMKWEST-UHFFFAOYSA-N

SMILES:

Cn1nc(c2c1ncn(c2=O)CC(=O)O)Br

Complexity:

361

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.97g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

287.073g/mol

Monoisotopic Mass:

285.97g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2