3-Hydroxy-2,4,6-triiodobenzaldehyde

CAT: 0127-OR1079229-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1079229-01Size:5 g

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CAS Number

224641-82-1

MDL Number

MFCD30572290

Purity

>98.0%

Smiles

C1=C (C (=C (C (=C1I) O) I) C=O) I

Chemical Information

3-Hydroxy-2,4,6-triiodobenzaldehyde

CAS Number	224641-82-1
PubChem CID	237827
IUPAC Name	3-hydroxy-2,4,6-triiodobenzaldehyde
Molecular Formula	C7H3I3O2
Molecular Weight	499.81
XLogP	3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	176

SMILES

C1=C(C(=C(C(=C1I)O)I)C=O)I

InChI

InChI=1S/C7H3I3O2/c8-4-1-5(9)7(12)6(10)3(4)2-11/h1-2,12H

InChIKey

PYEXBDXARWXOHC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 224641-82-1

CID: 237827

Formula: C7H3I3O2

MW: 499.81

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	499.81
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	499.7267
Monoisotopic Mass	499.7267
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	176
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
OR77659-01	2,3,5-Triiodobenzaldehyde
OR351077	3- (2’,4’-Dichlorophenyl) -6-hydroxy-4-methylcoumarin
PC9677-01	4-Hydroxy-2,3,5,6-tetrafluoropyridine
PC450235	4-Hydroxy-2,3,5,6-tetrafluorostyrene
BIH6065-01	3-Hydroxy-2,4,6-triiodobenzoic acid
OR1085033	2,6-Dichloro-3-hydroxy-4-methoxybenzaldehyde
BIH6066-01	3-Hydroxy-2,4,6-tribromobenzoic acid
OR6938-01	4-Hydroxy-2,2,6,6-tetramethylpiperidine
PC9563-01	4-Hydroxy-2,3,5,6-tetrafluorobenzotrifluoride

Catalog	Name
GTR19270246	2'-Hydroxy-3,4,4',6'-tetramethoxychalcone
GTR19270179	2'-Hydroxy-4,3',4',6'-tetramethoxychalcone
HY-N10607-01	6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone
SJC08697-01	4-Hydroxy-2,3,6-trimethylbenzonitrile
MBS5788461	2'-Hydroxy-3',4',6'-trimethoxychalcone
XH183014-01	3-Hydroxy-6,2',4'-trimethoxyflavone
TN6378	2'-Hydroxy-3',4',6'-trimethoxydihydrochalcone
sc-266678	3-Hydroxy-2,4,6-tribromobenzaldehyde
FH67211-01	6-Hydroxy-2,3,4-trimethoxyacetophenone
HY-N13509	2′-Hydroxy-3′,4′,6′-trimethoxydihydrochalcone