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methyl 3-bromo-2H-pyrazolo[3,4-c]pyridine-5-carboxylate

methyl 3-bromo-2H-pyrazolo[3,4-c]pyridine-5-carboxylate

CAS: 1206984-55-5

Formula: C8H6BrN3O2

SMILES: COC(=O)C1=CC2=C(Br)NN=C2C=N1

IUPAC: methyl 3-bromo-2H-pyrazolo[3,4-c]pyridine-5-carboxylate

InChI: InChI=1S/C8H6BrN3O2/c1-14-8(13)5-2-4-6(3-10-5)11-12-7(4)9/h2-3H,1H3,(H,11,12)

Composition: C (37.53%), H (2.36%), Br (31.21%), N (16.41%), O (12.50%)

Molar Mass: 256.059

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 254.964339
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VYWPYTUULPRYPW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.72
Topological Polar Surface Area 67.87
Polarizability 21.14
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1206984-55-5 $214.37-$882.70$214.37$342.99$588.89$882.70
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