3,4,5-Triiodobenzaldehyde

CAT: 0127-OR1054052Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1054052Size:50 mg

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CAS Number

1083181-39-8

MDL Number

MFCD11109505

Purity

95%

Smiles

O=CC1=CC(I)=C(I)C(I)=C1

Chemical Information

3,4,5-Triiodobenzaldehyde

CAS Number	1083181-39-8
PubChem CID	71463636
IUPAC Name	3,4,5-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	139

SMILES

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

InChI

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

InChIKey

HMOZUVUNDIAPAH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1083181-39-8

CID: 71463636

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	139
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
OR77659-01	2,3,5-Triiodobenzaldehyde
OR1079229-01	3-Hydroxy-2,4,6-triiodobenzaldehyde
PC5433	3,3,4,4,5,5,5-Heptafluoropentanal
PC450392	4-Bromo-3,3,4,4-tetrafluorobutyl 4,4,5,5,5-pentafluoropentyl carbonate
DE4004	4-Hydroxypiperidine-3,3,4,5,5-D5
OR10053	3,3',5,5'-Tetramethylbiphenyl-4,4'-diamine
OR1037493-01	4,4'-Diamino-3,3',5,5'-tetrabromobiphenyl
PC4500-01	3,3,4,4,5,5,5-Heptafluoropentan-2-ol
PC5434-01	3,3,4,4,5,5,5-Heptafluoropentan-1-ol
PC4502	3,3,4,4,5,5,5-Heptafluoropent-1-ene

Catalog	Name
FH146375-01	3,3'4,4'5,5'-Hexabromobiphenyl
TRC-H295058-250MG	3,3',4,4',5,5'-Hexachlorobiphenyl
427188-01	3,4,5,3',4',5'-Hexabromobiphenyl
AR-B07324-01	3,3',4,4',5,5'-Hexabromodiphenyl
FH146371-01	2,3,3',4,4',5,5'-Heptabromobiphenyl
T06550	3,5,3',5'-Tetramethoxy-4 4-diphenoquinone
PBA63531-01	2,3,3',4,4',5,5'-Heptachlorobiphenyl
433578-01	4,4'-Diamino-3,3',5,5'-tetrabromobiphenyl
RG-A262637-01	2,3,3',4,4',5,5'- Heptabromobiphenyl
TRC-A633024-10MG	4-Aminopiperidine-3,3,4,5,5-d5