2-Iodo-3,5-dimethylphenol

CAT: 0127-OR1033661-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1033661-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

24242-79-3

Purity

98%

Smiles

OC1=CC(C)=CC(C)=C1I

Chemical Information

2-Iodo-3,5-dimethylphenol

CAS Number	24242-79-3
PubChem CID	67485116
IUPAC Name	2-iodo-3,5-dimethylphenol
Molecular Formula	C8H9IO
Molecular Weight	248.06
XLogP	2.9
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	116

SMILES

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

InChI

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

InChIKey

VVSFSTVCISVYLN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24242-79-3

CID: 67485116

Formula: C8H9IO

MW: 248.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.06
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	247.96981
Monoisotopic Mass	247.96981
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes