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2-iodo-3,5-dimethylphenol

2-iodo-3,5-dimethylphenol

Formula: C8H9IO

SMILES: CC1=CC(C)=C(I)C(O)=C1

IUPAC: 2-iodo-3,5-dimethylphenol

InChI: InChI=1S/C8H9IO/c1-5-3-6(2)8(9)7(10)4-5/h3-4,10H,1-2H3

Composition: C (38.74%), H (3.66%), I (51.16%), O (6.45%)

Molar Mass: 248.063

Atom Count: 19

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 247.96981
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey VVSFSTVCISVYLN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.48
Topological Polar Surface Area 20.23
Polarizability 19.62
Ring Count 1
Rotatable Bond Count 0

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97% <7 Days C8H9IO $87.89-$1,196.80$87.89$148.67$399.25$1,196.80
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