2-Iodo-3-Methoxybenzoic Acid

CAT: 0127-OR1025342-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1025342-01Size:100 mg

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CAS Number

50627-31-1

Synonyms

2-iodo-3-methoxybenzoic acid

Purity

97%

Smiles

COC1=CC=CC(=C1I)C(=O)O

Chemical Information

2-Iodo-3-methoxybenzoic acid

CAS Number	50627-31-1
PubChem CID	458219
IUPAC Name	2-iodo-3-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=CC=CC(=C1I)C(=O)O

InChI

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

InChIKey

BLHGDXKFYRUEBL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50627-31-1

CID: 458219

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
OR55230-01	3-Iodo-2-methoxybenzoic acid
OR45099-01	2-Iodo-4-methoxybenzoic acid
OR345125-01	3-Iodo-4-methoxybenzoic acid
OR345152-01	4-Iodo-2-methoxybenzoic acid
OR400070-01	5-Iodo-2-methoxybenzoic acid
OR400602-01	4-Iodo-3-methoxybenzoic acid
OR73231-01	2-Iodo-5-methoxybenzoic acid
OR400154-01	2-Iodo-6-methoxybenzoic acid
OR1053766-01	3-Iodo-5-methoxybenzoic acid
OR1046794-01	2-Amino-5-iodo-3-methoxybenzoic acid

Catalog	Name
RCA19539	2-Iodo-6-methoxybenzoic acid
54413-93-3-01	2-Iodo-5-methoxybenzoic acid
FI67305	4-Iodo-2-methoxybenzoic acid
FI53968-01	3-Iodo-4-methoxybenzoic acid
FI70388-01	4-Iodo-2-methoxybenzoic acid methyl ester
430280-01	4-Amino-5-iodo-2-methoxybenzoic Acid
sc-350888A	5-chloro-4-iodo-2-methoxybenzoic acid
KDC20340	2-Amino-5-iodo-4-methoxybenzoic acid
231970-01	3-Iodo-4-methoxybenzoic acid 98+% (HPLC)
HY-N1393-01	2-Methoxybenzoic acid