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4-Iodobutan-1-Ol

CAT: 0127-OR1027622-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1027622-01Size:100 mg
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CAS Number
3210-08-0
Synonyms
4-iodobutan-1-ol
Purity
97%
Smiles
C(CCI)CO

Chemical Information

4-Iodobutan-1-ol
CAS Number3210-08-0
PubChem CID11030827
IUPAC Name4-iodobutan-1-ol
Molecular FormulaC4H9IO
Molecular Weight200.02
XLogP1.5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity23
SMILES
C(CCI)CO
InChI
InChI=1S/C4H9IO/c5-3-1-2-4-6/h6H,1-4H2
InChIKey
VRICZARLROAIDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Iodobutan-1-ol
CAS: 3210-08-0
CID: 11030827
Formula: C4H9IO
MW: 200.02
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight200.02
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass199.96981
Monoisotopic Mass199.96981
Topological Polar Surface Area20.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity23.5
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