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5-bromo-2-hydroxy-3-iodobenzaldehyde

CAT: 0127-OR1099484-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1099484-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
243136-01-8
MDL Number
MFCD02629358
Purity
95%
Smiles
C1c (cc (c (c1C=O) O) I) Br

Chemical Information

5-Bromo-2-hydroxy-3-iodobenzaldehyde
CAS Number243136-01-8
PubChem CID2716695
IUPAC Name5-bromo-2-hydroxy-3-iodobenzaldehyde
Molecular FormulaC7H4BrIO2
Molecular Weight326.91
XLogP2.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity153
SMILES
C1=C(C=C(C(=C1C=O)O)I)Br
InChI
InChI=1S/C7H4BrIO2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChIKey
VYKYVFPHGKLLDF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-2-hydroxy-3-iodobenzaldehyde
CAS: 243136-01-8
CID: 2716695
Formula: C7H4BrIO2
MW: 326.91
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight326.91
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass325.84394
Monoisotopic Mass325.84394
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity153
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