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3-BIPHENYL-3'，5'-DIFLUORO-CARBOXYLIC ACID - ≥97%, high purity , CAS No.177734-83-7

COA

Grade & Purity:

≥97%

Cas Number: 177734-83-7
PubChem CID: 11424816

In stock

Item Number

B725964

Grouped product items
SKU	Size	Availability	Price	Qty
B725964-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$514.90
B725964-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,295.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenyls and derivatives
Alternative Parents	Benzoic acids Benzoyl derivatives Fluorobenzenes Aryl fluorides Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenyl - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-(3,5-difluorophenyl)benzoic acid
INCHI	InChI=1S/C13H8F2O2/c14-11-5-10(6-12(15)7-11)8-2-1-3-9(4-8)13(16)17/h1-7H,(H,16,17)
InChIKey	DVVDXEXZIAKVDO-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC(=C2)F)F
Isomeric SMILES	C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC(=C2)F)F
Alternate CAS	177734-83-7
PubChem CID	11424816

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	234.200 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	234.049 Da
Monoisotopic Mass	234.049 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	273.000
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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