Ethyl 2- (2-iodophenyl) acetate

CAT: 0127-OR90096-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR90096-01Size:250 mg

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CAS Number

90794-29-9

MDL Number

MFCD00099258

Purity

98%

Smiles

O=C(OCC)CC1=CC=CC=C1I

Chemical Information

Ethyl 2-(2-iodophenyl)acetate

CAS Number	90794-29-9
PubChem CID	14639536
IUPAC Name	ethyl 2-(2-iodophenyl)acetate
Molecular Formula	C10H11IO2
Molecular Weight	290.10
XLogP	3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	170

SMILES

CCOC(=O)CC1=CC=CC=C1I

InChI

InChI=1S/C10H11IO2/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3

InChIKey

XBKDPADMOCFNED-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90794-29-9

CID: 14639536

Formula: C10H11IO2

MW: 290.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.10
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	289.98038
Monoisotopic Mass	289.98038
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	170
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
OR1094873-01	Ethyl 2- (3-iodophenyl) acetate
OR110943-01	Ethyl (4-iodophenyl) acetate
OR32806-01	2-Iodophenyl acetate
OR8095-01	Ethyl [ (4-iodophenyl) amino]acetate
OR90864-01	Methyl 2- (2-iodophenyl) acetate
OR1002806	Ethyl (4-Amino-3-iodophenyl) acetate
OR1095305-01	Ethyl (2-iodophenyl) sulfane
OR90150-01	Methyl 2- (4-iodophenyl) acetate
OR96692-01	Methyl 2- (3-iodophenyl) acetate
OR1085974-01	(2-Ethyl-4-iodophenyl) methanol

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