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6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

CAS: 1204926-24-8

Formula: C7H4ClN3O2

SMILES: OC(=O)C1=C2N=CC(Cl)=CN2N=C1

IUPAC: 6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

InChI: InChI=1S/C7H4ClN3O2/c8-4-1-9-6-5(7(12)13)2-10-11(6)3-4/h1-3H,(H,12,13)

Composition: C (42.55%), H (2.04%), Cl (17.94%), N (21.27%), O (16.20%)

Molar Mass: 197.58

Atom Count: 17

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 196.9992041
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey HMZCJEAFCHYUSU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.83
Topological Polar Surface Area 67.49
Polarizability 16.81
Ring Count 2
Rotatable Bond Count 1

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