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2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

CAS: 2171314-06-8

Formula: C8H6BrN3O2

SMILES: CC1=CC(=NC2=CC(Br)=NN12)C(O)=O

IUPAC: 2-bromo-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

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

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 4
Hydrogen Bond Donor Count 1
InChIKey HUIPGOVQEURHSS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.27
Topological Polar Surface Area 67.49
Polarizability 19.64
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 2171314-06-8 $594.10$594.10
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