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5-bromo-1H-indazole-3-carboxamide

5-bromo-1H-indazole-3-carboxamide

CAS: 1799421-04-7

Formula: C8H6BrN3O

SMILES: NC(=O)C1=NNC2=CC=C(Br)C=C12

IUPAC: 5-bromo-1H-indazole-3-carboxamide

InChI: InChI=1S/C8H6BrN3O/c9-4-1-2-6-5(3-4)7(8(10)13)12-11-6/h1-3H,(H2,10,13)(H,11,12)

Composition: C (40.03%), H (2.52%), Br (33.29%), N (17.50%), O (6.66%)

Molar Mass: 240.06

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 238.969425
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey BLPIUDHMDGSMME-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.4
Topological Polar Surface Area 71.77
Polarizability 20.31
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1799421-04-7 $266.07-$617.89$266.07$617.89
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