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4-Iodo-3-methoxybenzenecarboxylic acid - 98%, high purity , CAS No.282087-44-9

COA

Grade & Purity:

≥98%

Cas Number: 282087-44-9
Molecular Weight: 278
PubChem CID: 17934227

In stock

Item Number

I183409

Grouped product items
SKU	Size	Availability	Price	Qty
I183409-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$41.90
I183409-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$187.90

Discover 4-Iodo-3-methoxybenzenecarboxylic acid by Aladdin Scientific in 98% for only $41.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-Iodo-3-methoxybenzoic acid \| 282087-44-9 \| 4-iodo-3-methoxybenzenecarboxylic acid \| Benzoic acid, 4-iodo-3-methoxy- \| 4-Iodo-3-methoxybenzoicacid \| SCHEMBL410669 \| DTXSID40591649 \| WUGQVHZHKSOODO-UHFFFAOYSA-N \| 4-iodo-3-(methyloxy)benzoic acid \| MFCD09753732 \| AKOS00507355
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Methoxybenzoic acids and derivatives
        Level6 M-methoxybenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Methoxybenzoic acids and derivatives
Direct Parent	M-methoxybenzoic acids and derivatives
Alternative Parents	Halobenzoic acids 4-halobenzoic acids Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Iodobenzenes Alkyl aryl ethers Aryl iodides Monocarboxylic acids and derivatives Carboxylic acids Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-methoxybenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Iodobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl iodide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organoiodide - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4-iodo-3-methoxybenzoic acid
INCHI	InChI=1S/C8H7IO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11)
InChIKey	WUGQVHZHKSOODO-UHFFFAOYSA-N
Smiles	COC1=C(C=CC(=C1)C(=O)O)I
Isomeric SMILES	COC1=C(C=CC(=C1)C(=O)O)I
Molecular Weight	278
Reaxy-Rn	2717905
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2717905&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	278.040 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	277.944 Da
Monoisotopic Mass	277.944 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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