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(2,4-Dichloro-3-iodophenyl) methanol

CAT: 0127-OR1087169-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1087169-01Size:250 mg
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CAS Number
2095235-20-2
MDL Number
MFCD34759546
Purity
97%
Smiles
C1 (ccc (c (c1Cl) I) Cl) CO

Chemical Information

(2,4-Dichloro-3-iodophenyl)methanol
CAS Number2095235-20-2
PubChem CID129020257
IUPAC Name(2,4-dichloro-3-iodophenyl)methanol
Molecular FormulaC7H5Cl2IO
Molecular Weight302.92
XLogP2.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
C1=CC(=C(C(=C1CO)Cl)I)Cl
InChI
InChI=1S/C7H5Cl2IO/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2,11H,3H2
InChIKey
GHWCWCFAHKAXNC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2,4-Dichloro-3-iodophenyl)methanol
CAS: 2095235-20-2
CID: 129020257
Formula: C7H5Cl2IO
MW: 302.92
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.92
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass301.87622
Monoisotopic Mass301.87622
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
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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