Name: Name:1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-3-methyl-
Brand: Angene
SKU: AG00IEDI
Rating: 90 (10 reviews)

1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-3-methyl-

CAS No.:

871335-85-2

Catalog Number:

AG00IEDI

Molecular Formula:

C6H5ClN4

Molecular Weight:

168.5837

Catalog Number:

AG00IEDI

Chemical Name:

1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-3-methyl-

CAS Number:

871335-85-2

Molecular Formula:

C6H5ClN4

Molecular Weight:

168.5837

MDL Number:

MFCD16249846

IUPAC Name:

4-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine

InChI:

InChI=1S/C6H5ClN4/c1-3-4-5(7)8-2-9-6(4)11-10-3/h2H,1H3,(H,8,9,10,11)

InChI Key:

XFDFMJYQFBHDMF-UHFFFAOYSA-N

SMILES:

Cc1n[nH]c2c1c(Cl)ncn2

Complexity:

154

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.584g/mol

Monoisotopic Mass:

168.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5