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2-Iodo-5-methoxybenzaldehyde

CAT: 0926-CDA28758Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-CDA28758Size:5 g
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CAS Number
77287-58-2
MDL Number
MFCD18905098
Smiles
COC1=CC (=C (C=C1) I) C=O
Molecular Formula
C8H7IO2
Molecular Weight
262.04 g/mol
Controlled
No

Chemical Information

Benzaldehyde, 2-iodo-5-methoxy-
CAS Number77287-58-2
PubChem CID10858258
IUPAC Name2-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(=C(C=C1)I)C=O
InChI
InChI=1S/C8H7IO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-5H,1H3
InChIKey
YHRFMOFYYPMQBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzaldehyde, 2-iodo-5-methoxy-
CAS: 77287-58-2
CID: 10858258
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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