Ethyl 4-iodobenzoate

CAT: 0926-FE23014-01Size: 250 gDry Ice: NoHazardous: No

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CAT#:0926-FE23014-01Size:250 g

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CAS Number

51934-41-9

Synonyms

4-Iodo-benzoic acid ethyl ester;4- (Ethoxycarbonyl) phenyl iodide;4-Carbethoxyphenyl iodide

MDL Number

MFCD00017344

Smiles

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

Molecular Formula

C9H9IO2

Molecular Weight

276.07 g/mol

Controlled

Chemical Information

Ethyl 4-iodobenzoate

CAS Number	51934-41-9
PubChem CID	142891
IUPAC Name	ethyl 4-iodobenzoate
Molecular Formula	C9H9IO2
Molecular Weight	276.07
XLogP	3.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	151

SMILES

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

InChI

InChI=1S/C9H9IO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

InChIKey

YCBJOQUNPLTBGG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51934-41-9

CID: 142891

Formula: C9H9IO2

MW: 276.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.07
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	275.96473
Monoisotopic Mass	275.96473
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151
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
LAC56951-01	Ethyl 3-amino-4-iodobenzoate
FE22993-01	Ethyl 3-iodobenzoate
JKC08382-01	Ethyl 5-bromo-4-fluoro-2-iodobenzoate
FWB91138-01	Ethyl 5- (chlorosulfonyl) -2-iodobenzoate
AJB86448-01	Ethyl 3-fluoro-5-iodobenzoate
FM30437	Methyl-4-iodobenzoate
FS153623-01	N-Succinimidyl 4-iodobenzoate
ZJB56939	Methyl 3-chloro-4-iodobenzoate
GHA76585	Methyl 4-chloro-2-iodobenzoate
FM43165-01	Methyl 4-amino-3-iodobenzoate