Ethyl 2-iodobenzoate

CAT: 0127-OR4535-01Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR4535-01Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1829-28-3

MDL Number

MFCD00051796

Purity

=95%

Smiles

CCOC(=O)c1ccccc1I

Chemical Information

Ethyl 2-iodobenzoate

CAS Number	1829-28-3
PubChem CID	2829347
IUPAC Name	ethyl 2-iodobenzoate
Molecular Formula	C9H9IO2
Molecular Weight	276.07
XLogP	3.1
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	159

SMILES

CCOC(=O)C1=CC=CC=C1I

InChI

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

InChIKey

QOUFDDUDXYJWHV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1829-28-3

CID: 2829347

Formula: C9H9IO2

MW: 276.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.07
XLogP3	3.1
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	159
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
sc-269025	Ethyl 2-iodobenzoate
FE22993-01	Ethyl 3-iodobenzoate
TRC-E920525-25G	Ethyl 4-Iodobenzoate
FWB91138-01	Ethyl 5- (chlorosulfonyl) -2-iodobenzoate
sc-269012	Ethyl 2-amino-5-iodobenzoate
TRC-M304945-5G	Methyl 4-Ethyl-iodobenzoate
sc-497964	Ethyl 3-Iodobenzoate-13C6
449151-01	Ethyl 3,5-dichloro-2-iodobenzoate
JKC08382-01	Ethyl 5-bromo-4-fluoro-2-iodobenzoate
LAC56951-01	Ethyl 3-amino-4-iodobenzoate