2-Iodo-6-methoxybenzoic acid

CAT: 0926-RCA19539Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-RCA19539Size:5 g

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CAS Number

66195-39-9

MDL Number

MFCD13562947

Smiles

COC1=C (C (=CC=C1) I) C (=O) O

Molecular Formula

C8H7IO3

Molecular Weight

278.04 g/mol

Controlled

Chemical Information

2-Iodo-6-methoxybenzoic acid

CAS Number	66195-39-9
PubChem CID	12168428
IUPAC Name	2-iodo-6-methoxybenzoic acid
Molecular Formula	C8H7IO3
Molecular Weight	278.04
XLogP	2.1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

COC1=C(C(=CC=C1)I)C(=O)O

InChI

InChI=1S/C8H7IO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11)

InChIKey

RFRQKFYMMXFZNQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66195-39-9

CID: 12168428

Formula: C8H7IO3

MW: 278.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.04
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	277.94399
Monoisotopic Mass	277.94399
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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
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FA55431-01	2-Amino-6-methoxybenzoic acid
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Catalog	Name
OR400154-01	2-Iodo-6-methoxybenzoic acid
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OR45099-01	2-Iodo-4-methoxybenzoic acid
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OR1025342-01	2-Iodo-3-Methoxybenzoic Acid
OR345152-01	4-Iodo-2-methoxybenzoic acid
OR400070-01	5-Iodo-2-methoxybenzoic acid
OR55230-01	3-Iodo-2-methoxybenzoic acid
OR345125-01	3-Iodo-4-methoxybenzoic acid