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5-bromo-3-iodo-6-methyl-1H-indazole

5-bromo-3-iodo-6-methyl-1H-indazole

CAS: 1360954-43-3

Formula: C8H6BrIN2

SMILES: CC1=C(Br)C=C2C(I)=NNC2=C1

IUPAC: 5-bromo-3-iodo-6-methyl-1H-indazole

InChI: InChI=1S/C8H6BrIN2/c1-4-2-7-5(3-6(4)9)8(10)12-11-7/h2-3H,1H3,(H,11,12)

Composition: C (28.52%), H (1.79%), Br (23.71%), I (37.66%), N (8.31%)

Molar Mass: 336.958

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 335.87591
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey HBXWLIUKYARYQM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.81
Topological Polar Surface Area 28.68
Polarizability 24.56
Ring Count 2
Rotatable Bond Count 0

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