Name: Name:1H-Pyrazolo[3,4-d]pyrimidine, 3-bromo-4-methoxy-
Brand: Angene
SKU: AG002EKC
Rating: 90 (10 reviews)

1H-Pyrazolo[3,4-d]pyrimidine, 3-bromo-4-methoxy-

CAS No.:

190430-36-5

Catalog Number:

AG002EKC

Molecular Formula:

C6H5BrN4O

Molecular Weight:

229.0341

Catalog Number:

AG002EKC

Chemical Name:

1H-Pyrazolo[3,4-d]pyrimidine, 3-bromo-4-methoxy-

CAS Number:

190430-36-5

Molecular Formula:

C6H5BrN4O

Molecular Weight:

229.0341

MDL Number:

MFCD27995010

IUPAC Name:

3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine

InChI:

InChI=1S/C6H5BrN4O/c1-12-6-3-4(7)10-11-5(3)8-2-9-6/h2H,1H3,(H,8,9,10,11)

InChI Key:

WIGPGRHAXNIUJM-UHFFFAOYSA-N

SMILES:

COc1ncnc2c1c(Br)n[nH]2

Complexity:

170

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.965g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.037g/mol

Monoisotopic Mass:

227.965g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5