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2-Iodo-4-methylphenol

CAT: 0572-TRC-B448855-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B448855-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16188-57-1
Synonyms
2-Iodo-p-cresol;
Hazard Statement
No Data Available
Smiles
Cc1ccc(O)c(I)c1
Molecular Formula
C7H7OI
Molecular Weight
234.03
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Iodo-4-methylphenol
CAS Number16188-57-1
PubChem CID616392
IUPAC Name2-iodo-4-methylphenol
Molecular FormulaC7H7IO
Molecular Weight234.03
XLogP2.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity94
SMILES
CC1=CC(=C(C=C1)O)I
InChI
InChI=1S/C7H7IO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
InChIKey
JITSLEIKSRKKCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Iodo-4-methylphenol
CAS: 16188-57-1
CID: 616392
Formula: C7H7IO
MW: 234.03
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight234.03
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass233.95416
Monoisotopic Mass233.95416
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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