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methyl 7-bromo-2H-indazole-5-carboxylate

methyl 7-bromo-2H-indazole-5-carboxylate

CAS: 1427460-96-5

Formula: C9H7BrN2O2

SMILES: COC(=O)C1=CC2=CNN=C2C(Br)=C1

IUPAC: methyl 7-bromo-2H-indazole-5-carboxylate

InChI: InChI=1S/C9H7BrN2O2/c1-14-9(13)5-2-6-4-11-12-8(6)7(10)3-5/h2-4H,1H3,(H,11,12)

Composition: C (42.38%), H (2.77%), Br (31.33%), N (10.98%), O (12.54%)

Molar Mass: 255.071

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 253.96909
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KSHNFDKDSIQAGL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.47
Topological Polar Surface Area 54.98
Polarizability 21.9
Ring Count 2
Rotatable Bond Count 2

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90% <2 Days 1427460-96-5 $51.35-$86.31$51.35$63.37$86.31
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Kinentia Biosciences LLC
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