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3-Iodo-5-methoxybenzaldehyde

CAT: 0127-OR1084374-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1084374-01Size:250 mg
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CAS Number
152734-38-8
MDL Number
MFCD22544341
Purity
97%
Smiles
C1 (cc (cc (c1) I) OC) C=O

Chemical Information

3-Iodo-5-methoxybenzaldehyde
CAS Number152734-38-8
PubChem CID72214837
IUPAC Name3-iodo-5-methoxybenzaldehyde
Molecular FormulaC8H7IO2
Molecular Weight262.04
XLogP2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
COC1=CC(=CC(=C1)C=O)I
InChI
InChI=1S/C8H7IO2/c1-11-8-3-6(5-10)2-7(9)4-8/h2-5H,1H3
InChIKey
RKSCAWQHWQYHMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Iodo-5-methoxybenzaldehyde
CAS: 152734-38-8
CID: 72214837
Formula: C8H7IO2
MW: 262.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.04
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass261.94908
Monoisotopic Mass261.94908
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
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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