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1-(2,2,2-trifluoroethyl)cyclobutane-1-carboxylic acid - 97%, high purity , CAS No.945495-63-6

COA

Grade & Purity:

≥97%

Cas Number: 945495-63-6
Molecular Weight: 182.14
PubChem CID: 57572368

In stock

Item Number

C635277

Grouped product items
SKU	Size	Availability	Price
C635277-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
C635277-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$310.90
C635277-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$517.90
C635277-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$775.90
C635277-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,881.90

Basic Description

Synonyms	1-(2,2,2-trifluoroethyl)cyclobutane-1-carboxylic acid \| 945495-63-6 \| SCHEMBL12736752 \| AMY35800 \| MFCD21922747 \| AKOS017979785 \| SB22541 \| AS-77896 \| P18469 \| 1-(2,2,2-trifluoroethyl)cyclobutane-1-carboxylicacid
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acids

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acids
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acids
Alternative Parents	Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
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	1-(2,2,2-trifluoroethyl)cyclobutane-1-carboxylic acid
INCHI	InChI=1S/C7H9F3O2/c8-7(9,10)4-6(5(11)12)2-1-3-6/h1-4H2,(H,11,12)
InChIKey	XRIDSIZKSOTJFF-UHFFFAOYSA-N
Smiles	C1CC(C1)(CC(F)(F)F)C(=O)O
Isomeric SMILES	C1CC(C1)(CC(F)(F)F)C(=O)O
PubChem CID	57572368
Molecular Weight	182.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	182.140 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	182.055 Da
Monoisotopic Mass	182.055 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	193.000
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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