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4-Iodoguaiacol

CAT: 0926-FI71073-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-FI71073-01Size:2 g
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CAS Number
203861-62-5
Synonyms
4-Iodo-2-methoxyphenol
MDL Number
MFCD08061924
Smiles
COC1=C (C=CC (=C1) I) O
Molecular Formula
C7H7IO2
Molecular Weight
250.03 g/mol
Controlled
No

Chemical Information

4-Iodo-2-methoxyphenol
CAS Number203861-62-5
PubChem CID10106127
IUPAC Name4-iodo-2-methoxyphenol
Molecular FormulaC7H7IO2
Molecular Weight250.03
XLogP1.5
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity108
SMILES
COC1=C(C=CC(=C1)I)O
InChI
InChI=1S/C7H7IO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChIKey
KJXYWMSTOWBZHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Iodo-2-methoxyphenol
CAS: 203861-62-5
CID: 10106127
Formula: C7H7IO2
MW: 250.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.03
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass249.94908
Monoisotopic Mass249.94908
Topological Polar Surface Area29.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity108
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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