2-Iodo-3-methylphenol

CAT: 0127-OR83442-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR83442-01Size:100 mg

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CAS Number

1243471-41-1

MDL Number

MFCD16997543

Purity

98%

Smiles

OC1=CC=CC(C)=C1I

Chemical Information

2-Iodo-3-methylphenol

CAS Number	1243471-41-1
PubChem CID	72222103
IUPAC Name	2-iodo-3-methylphenol
Molecular Formula	C7H7IO
Molecular Weight	234.03
XLogP	2.6
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	94

SMILES

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

InChI

InChI=1S/C7H7IO/c1-5-3-2-4-6(9)7(5)8/h2-4,9H,1H3

InChIKey

SQQLELZQLWQUEP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1243471-41-1

CID: 72222103

Formula: C7H7IO

MW: 234.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.03
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	233.95416
Monoisotopic Mass	233.95416
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.9
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