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5-[4-(Trifluoromethoxy)phenyl]furan-2-carboxylic Acid - ≥95%, high purity , CAS No.638160-01-7

COA

Grade & Purity:

≥95%

Cas Number: 638160-01-7
Molecular Weight: 272.18
PubChem CID: 960725

In stock

Item Number

F691567

Grouped product items
SKU	Size	Availability	Price
F691567-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$108.90
F691567-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$289.90
F691567-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,019.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Furans
    - Subclass Furoic acid and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Furans
Subclass	Furoic acid and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Furoic acids
Alternative Parents	Phenoxy compounds Phenol ethers Heteroaromatic compounds Trihalomethanes Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenoxy compound - Furoic acid - Phenol ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Trihalomethane - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Alkyl fluoride - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.
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	5-[4-(trifluoromethoxy)phenyl]furan-2-carboxylic acid
INCHI	InChI=1S/C12H7F3O4/c13-12(14,15)19-8-3-1-7(2-4-8)9-5-6-10(18-9)11(16)17/h1-6H,(H,16,17)
InChIKey	KHCLEQZLFHIDBP-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=CC=C(O2)C(=O)O)OC(F)(F)F
Isomeric SMILES	C1=CC(=CC=C1C2=CC=C(O2)C(=O)O)OC(F)(F)F
PubChem CID	960725
Molecular Weight	272.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	272.180 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	272.03 Da
Monoisotopic Mass	272.03 Da
Topological Polar Surface Area	59.700 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	323.000
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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