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4-Hydroxy-3-iodo-5-nitrobenzaldehyde

CAT: 0572-TRC-H956458-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H956458-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3861-58-3
Hazard Statement
No Data Available
Smiles
Oc1c(I)cc(C=O)cc1[N+](=O)[O-]
Molecular Formula
C7 H4 I N O4
Molecular Weight
293.015
InChI
InChI=1S/C7H4INO4/c8-5-1-4(3-10)2-6(7(5)11)9(12)13/h1-3,11H
Additionnal Information
IUPAC name: 4-hydroxy-3-iodo-5-nitrobenzaldehyde
Shipping Conditions
Room Temperature

Chemical Information

4-Hydroxy-3-iodo-5-nitrobenzaldehyde
CAS Number3861-58-3
PubChem CID1494374
IUPAC Name4-hydroxy-3-iodo-5-nitrobenzaldehyde
Molecular FormulaC7H4INO4
Molecular Weight293.02
XLogP2
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity217
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C=O
InChI
InChI=1S/C7H4INO4/c8-5-1-4(3-10)2-6(7(5)11)9(12)13/h1-3,11H
InChIKey
NVMYBVZAFRMSDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-3-iodo-5-nitrobenzaldehyde
CAS: 3861-58-3
CID: 1494374
Formula: C7H4INO4
MW: 293.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.02
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass292.91851
Monoisotopic Mass292.91851
Topological Polar Surface Area83.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity217
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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