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methyl 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylate

methyl 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS: 1005209-40-4

Formula: C8H6BrN3O2

SMILES: COC(=O)C1=NN2C=C(Br)C=NC2=C1

IUPAC: methyl 6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylate

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

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 0
InChIKey QWQDSBMSESLQEC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.05
Topological Polar Surface Area 56.49
Polarizability 19.89
Ring Count 2
Rotatable Bond Count 2

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Key Organics Ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1005209-40-4 $51.35-$449.02$51.35$63.37$86.31$292.79$449.02
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Crea-Chim UAB
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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 1005209-40-4 $322.40$322.40
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