4-Iodobenzoyl fluoride

CAT: 0127-PC1001322-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC1001322-01Size:1 g

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CAS Number

2415937-32-3

Purity

97%

Smiles

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

Chemical Information

4-Iodobenzoyl fluoride

CAS Number	2415937-32-3
PubChem CID	154307774
IUPAC Name	4-iodobenzoyl fluoride
Molecular Formula	C7H4FIO
Molecular Weight	250.01
XLogP	3.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	130

SMILES

C1=CC(=CC=C1C(=O)F)I

InChI

InChI=1S/C7H4FIO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H

InChIKey

XCXDKXQUXUQVAW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2415937-32-3

CID: 154307774

Formula: C7H4FIO

MW: 250.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.01
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	249.92909
Monoisotopic Mass	249.92909
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	130
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
OR6727-01	4-Iodobenzoyl chloride
PC51814-01	3-Chloro-4-iodobenzyl fluoride
PC502881	4-Bromo-3-iodobenzyl fluoride
PC502889-01	4-Bromo-2-iodobenzyl fluoride
PC408249	4-Fluoro-2-iodobenzoyl chloride
PC1008200-01	4-Methoxyphenoxytetrafluoroethanesulphonyl fluoride
PC1001461-01	4-Fluorobenzenesulfonyl fluoride
PC5637-01	4-Methoxymetanilyl fluoride
PC900114-01	4-Bromobenzenesulfonyl fluoride
PC103858-01	4-Hydroxybenzenesulfonyl fluoride

Catalog	Name
XCA39840	4-Bromobenzoyl fluoride
433044-01	4-Methoxymetanilyl fluoride
431230-01	4-Bromobenzenesulfonyl fluoride
N495818	4-Nitrobenzyl fluoride
GTR19216453-01	Thalidomide 4-fluoride
AR-A02209-01	4-Aminobenzyl Fluoride
AAA34989	4-Chlorobenzenesulfonyl fluoride
sc-290457	4-Nitrobenzenesulfonyl Fluoride
GTR19235961-01	4-Fluorophenoxytetrafluoroethanesulfonyl fluoride
AAA45949-01	4-Bromobenzyl fluoride