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1-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid - 97%, high purity , CAS No.1529329-33-6

COA

Grade & Purity:

≥97%

Cas Number: 1529329-33-6
Molecular Weight: 164.152
PubChem CID: 79425843

In stock

Item Number

D174502

Grouped product items
SKU	Size	Availability	Price	Qty
D174502-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9,923.90

Basic Description

Synonyms	1-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid \| 1529329-33-6 \| MFCD21922753 \| AKOS017980114 \| SB22542 \| PS-17208 \| CS-0057133 \| P17232 \| EN300-1696668 \| 1-(2,2-difluoroethyl)cyclobutane-1-carboxylicacid \| Z1321950442
Specifications & Purity	≥97%
Storage Temp	Room temperature
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-difluoroethyl)cyclobutane-1-carboxylic acid
INCHI	InChI=1S/C7H10F2O2/c8-5(9)4-7(6(10)11)2-1-3-7/h5H,1-4H2,(H,10,11)
InChIKey	YVDNLJJRPYJSCF-UHFFFAOYSA-N
Smiles	C1CC(C1)(CC(F)F)C(=O)O
Isomeric SMILES	C1CC(C1)(CC(F)F)C(=O)O
PubChem CID	79425843
Molecular Weight	164.152

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	164.150 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	164.065 Da
Monoisotopic Mass	164.065 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	164.000
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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