1- (Allyloxy) -4-iodobenzene

CAT: 0127-OR1041179-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1041179-01Size:100 mg

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CAS Number

13997-71-2

MDL Number

MFCD14644581

Purity

98%

Smiles

C=CCOC1=CC=C(C=C1)I

Chemical Information

Benzene, 1-iodo-4-(2-propenyloxy)-

CAS Number	13997-71-2
PubChem CID	637343
IUPAC Name	1-iodo-4-prop-2-enoxybenzene
Molecular Formula	C9H9IO
Molecular Weight	260.07
XLogP	3.6
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	117

SMILES

C=CCOC1=CC=C(C=C1)I

InChI

InChI=1S/C9H9IO/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6H,1,7H2

InChIKey

ZCYLOWOVAYQNAA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13997-71-2

CID: 637343

Formula: C9H9IO

MW: 260.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.07
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	259.96981
Monoisotopic Mass	259.96981
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	117
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
OR92856-01	1- (Allyloxy) -4-bromobenzene
OR1065088-01	1- (Allyloxy) -4-chlorobenzene
PC100379-01	1- (Allyloxy) -4-fluorobenzene
OR1055534-01	1-Butoxy-4-iodobenzene
OR4537-01	1-Ethyl-4-iodobenzene
OR77666-01	1-Ethynyl-4-iodobenzene
PC2847R-01	1- (Difluoromethoxy) -4-iodobenzene
OR1094194-01	1- (cyclohexyloxy) -4-iodobenzene
PC100299-01	1- (Difluoromethyl) -4-iodobenzene
OR1097071-01	1- (cyclopentyloxy) -4-iodobenzene

Catalog	Name
429327-01	4- (Allyloxy) benzonitrile
sc-314845	4- (Allyloxy) aniline
sc-314846	4- (Allyloxy) benzohydrazide
QDA20715-01	6-Allyloxy-4-methylcoumarin
423656-01	3-Allyloxy-4-methoxybenzaldehyde
GNB32463-01	4- (Allyloxy) piperidine hydrochloride
sc-348179	4- (allyloxy) -3-bromobenzaldehyde
sc-315706	4-Allyloxy-benzoic acid
260224-01	4-Allyloxy-2-hydroxybenzophenone
sc-284054	4- (allyloxy) -3-ethoxybenzaldehyde