2,3,5-Triiodobenzaldehyde

CAT: 0127-OR77659-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR77659-01Size:100 mg

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CAS Number

477534-99-9

MDL Number

MFCD08703354

Purity

97%

Smiles

C(C=1C(=C(C=C(C1)I)I)I)=O

Chemical Information

2,3,5-Triiodobenzaldehyde

used to introduce radiopacity to polymers; structure in first source

CAS Number	477534-99-9
PubChem CID	53898080
IUPAC Name	2,3,5-triiodobenzaldehyde
Molecular Formula	C7H3I3O
Molecular Weight	483.81
XLogP	3.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	151

SMILES

C1=C(C=C(C(=C1C=O)I)I)I

InChI

InChI=1S/C7H3I3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H

InChIKey

ROJLASMOZHOOOX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 477534-99-9

CID: 53898080

Formula: C7H3I3O

MW: 483.81

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	483.81
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	483.7318
Monoisotopic Mass	483.7318
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1054052	3,4,5-Triiodobenzaldehyde
OR1079229-01	3-Hydroxy-2,4,6-triiodobenzaldehyde
OR1066615-01	5,5''-Dibromo-3,3''-dihexyl-2,2':5',2''-terthiophene
OR1063804-01	3,3'''-Dioctyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1010734-01	3,3’’’-Dihexyl-2,2’:5’,2’’:5’’,2’’’-Quaterthiophene
OR1045553-01	3,3'''-Didodecyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1032441-01	3,3',5,5'-Tetramethyl-2,2'-biphenol
OR54633	3,3',5,5'-Tetrabromo-2,2'-bithiophene
OR1027690-01	5,5'-Dibromo-3,3'-Dihexyl-2,2'-Bithiophene
PC99181-01	2,2,3,3,4,4,5,5-Octafluorohexanediimidamide

Catalog	Name
KBA69404-01	2,2',3,3',5,5'-Hexachlorobiphenyl
sc-477013	3,3',5,5'-Tetrabromo-2,2'-bithiophene
AQ A1 0021-01	2,2,3,5,5-pentamethylhexan-3-ol
PBA63532-01	2,3,3',5,5'-Pentachlorobiphenyl
HY-W718588S	2,2',3,3',5,5'-Hexachlorobiphenyl-13C12
15131983-25g	2,3,5-Collidine (2,3,5-Trimethylpyridine)
JH919697	3-[ () ]-5--2-
RBA46442-01	2,3',5,5'-Tetrachlorobiphenyl
FO01921-01	2,2',3,3',5,5',6,6'-Octafluorobiphenyl
SCA88900-01	2,2',3,3',4,4',5,5'-Octabromobiphenyl