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4-bromo-3-iodo-1H-pyrazole

4-bromo-3-iodo-1H-pyrazole

CAS: 27258-14-6

Formula: C3H2BrIN2

SMILES: BrC1=CNN=C1I

IUPAC: 4-bromo-3-iodo-1H-pyrazole

InChI: InChI=1S/C3H2BrIN2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)

Composition: C (13.21%), H (0.74%), Br (29.28%), I (46.51%), N (10.27%)

Molar Mass: 272.871

Atom Count: 9

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 271.84461
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey GUJCTDQAFPJYFU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.44
Topological Polar Surface Area 28.68
Polarizability 15.87
Ring Count 1
Rotatable Bond Count 0

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