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2-(3-Methylfuran-2-carboxamido)benzoic acid - ≥97%, high purity , CAS No.424809-74-5

COA

Grade & Purity:

≥97%

Cas Number: 424809-74-5
Molecular Weight: 245.23
PubChem CID: 2883693

In stock

Item Number

B693240

Grouped product items
SKU	Size	Availability	Price
B693240-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$186.90
B693240-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$311.90
B693240-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$909.90
B693240-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,373.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Aromatic anilides
        Level6 Furanilides
        Level7 2-furanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Aromatic anilides - Furanilides
Direct Parent	2-furanilides
Alternative Parents	Benzoic acids Furoic acid and derivatives Benzoyl derivatives 2-heteroaryl carboxamides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-furanilide - Benzoic acid or derivatives - Benzoic acid - 2-heteroaryl carboxamide - Furoic acid or derivatives - Benzoyl - Furan - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 2-position with an anilide.
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	2-[(3-methylfuran-2-carbonyl)amino]benzoic acid
INCHI	InChI=1S/C13H11NO4/c1-8-6-7-18-11(8)12(15)14-10-5-3-2-4-9(10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKey	PRIZKRWQTVWBFL-UHFFFAOYSA-N
Smiles	CC1=C(OC=C1)C(=O)NC2=CC=CC=C2C(=O)O
Isomeric SMILES	CC1=C(OC=C1)C(=O)NC2=CC=CC=C2C(=O)O
PubChem CID	2883693
Molecular Weight	245.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	245.230 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	245.069 Da
Monoisotopic Mass	245.069 Da
Topological Polar Surface Area	79.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	331.000
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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