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2-Iodo-4-methylbenzaldehyde

CAT: 0127-OR1051613-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1051613-01Size:100 mg
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CAS Number
126156-28-3
MDL Number
MFCD18397771
Purity
95%
Smiles
CC1=CC=C(C=O)C(I)=C1

Chemical Information

2-Iodo-4-methylbenzaldehyde
CAS Number126156-28-3
PubChem CID22259684
IUPAC Name2-iodo-4-methylbenzaldehyde
Molecular FormulaC8H7IO
Molecular Weight246.04
XLogP2.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity124
SMILES
CC1=CC(=C(C=C1)C=O)I
InChI
InChI=1S/C8H7IO/c1-6-2-3-7(5-10)8(9)4-6/h2-5H,1H3
InChIKey
FQCOIEKPCNEVDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Iodo-4-methylbenzaldehyde
CAS: 126156-28-3
CID: 22259684
Formula: C8H7IO
MW: 246.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.04
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass245.95416
Monoisotopic Mass245.95416
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity124
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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Alternative Products

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YIB44483-013-Iodo-2-methylbenzaldehyde
QCA87426-015-iodo-2-methylbenzaldehyde
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FF40254-014-Fluoro-2-methylbeNzaldehyde
PDA76351-014-Ethoxy-2-methylbenzaldehyde
418577-012-Methoxy-4-methylbenzaldehyde
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