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

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

CAS: 5399-92-8

Formula: C5H3ClN4

SMILES: ClC1=NC=NC2=NNC=C12

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

InChI: InChI=1S/C5H3ClN4/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H,7,8,9,10)

Composition: C (38.86%), H (1.96%), Cl (22.94%), N (36.25%)

Molar Mass: 154.56

Atom Count: 13

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 154.0046238
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YMXQUFUYCADCFL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.93
Topological Polar Surface Area 54.46
Polarizability 14.21
Ring Count 2
Rotatable Bond Count 0

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