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3-bromo-6-methoxypyrazolo[1,5-a]pyrimidine

3-bromo-6-methoxypyrazolo[1,5-a]pyrimidine

CAS: 1314893-99-6

Formula: C7H6BrN3O

SMILES: COC1=CN2N=CC(Br)=C2N=C1

IUPAC: 3-bromo-6-methoxypyrazolo[1,5-a]pyrimidine

InChI: InChI=1S/C7H6BrN3O/c1-12-5-2-9-7-6(8)3-10-11(7)4-5/h2-4H,1H3

Composition: C (36.87%), H (2.65%), Br (35.04%), N (18.43%), O (7.02%)

Molar Mass: 228.049

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 226.969425
Formal Charge 0
FSP3 0.14
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey OLCFRVMHIGLGTH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.86
Topological Polar Surface Area 39.42
Polarizability 17.9
Ring Count 2
Rotatable Bond Count 1

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