Name: Name:3-bromo-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
Brand: Angene
SKU: AG01C4V7
Rating: 90 (10 reviews)

3-bromo-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol

CAS No.:

1989671-52-4

Catalog Number:

AG01C4V7

Molecular Formula:

C6H2BrF3N4O

Molecular Weight:

283.0055

Catalog Number:

AG01C4V7

Chemical Name:

3-bromo-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol

CAS Number:

1989671-52-4

Molecular Formula:

C6H2BrF3N4O

Molecular Weight:

283.0055

MDL Number:

MFCD30342723

IUPAC Name:

3-bromo-6-(trifluoromethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

InChI:

InChI=1S/C6H2BrF3N4O/c7-2-1-3(14-13-2)11-5(6(8,9)10)12-4(1)15/h(H2,11,12,13,14,15)

InChI Key:

KNLMQSHQRJTOQO-UHFFFAOYSA-N

SMILES:

Oc1nc(nc2c1c(Br)n[nH]2)C(F)(F)F

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.936g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

283.008g/mol

Monoisotopic Mass:

281.936g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5