Name: Name:3-bromo-4-chloro-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
Brand: Angene
SKU: AG01B6GJ
Rating: 90 (10 reviews)

3-bromo-4-chloro-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine

CAS No.:

1696992-79-6

Catalog Number:

AG01B6GJ

Molecular Formula:

C6HBrClF3N4

Molecular Weight:

301.4511

Catalog Number:

AG01B6GJ

Chemical Name:

3-bromo-4-chloro-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine

CAS Number:

1696992-79-6

Molecular Formula:

C6HBrClF3N4

Molecular Weight:

301.4511

MDL Number:

MFCD20258021

IUPAC Name:

3-bromo-4-chloro-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidine

InChI:

InChI=1S/C6HBrClF3N4/c7-2-1-3(8)12-5(6(9,10)11)13-4(1)15-14-2/h(H,12,13,14,15)

InChI Key:

DKDREYJFPKKGSF-UHFFFAOYSA-N

SMILES:

Clc1nc(nc2c1c(Br)n[nH]2)C(F)(F)F

Complexity:

253

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

299.903g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.451g/mol

Monoisotopic Mass:

299.903g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1