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3-(fluoromethyl)cyclobutane-1-carboxylic acid - 97%, high purity , CAS No.1613330-51-0

COA

Grade & Purity:

≥97%

Cas Number: 1613330-51-0
Molecular Weight: 132.13
MDL number: MFCD28539036
PubChem CID: 84716126

In stock

Item Number

C629841

Grouped product items
SKU	Size	Availability	Price
C629841-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
C629841-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$310.90
C629841-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$517.90
C629841-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$775.90
C629841-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,881.90

Basic Description

Synonyms	3-(Fluoromethyl)cyclobutane-1-carboxylic acid \| 1613330-51-0 \| 3-(fluoromethyl)cyclobutanecarboxylic acid \| SCHEMBL15777485 \| MFCD28539036 \| 3-(Fluoromethyl)cyclobutane-1-carboxylicacid \| D97099 \| EN300-7142733 \| EN300-27748617 \| (1r,3r)-3-(fluoromethyl)c
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Halogenated fatty acids
Alternative Parents	Branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Halogenated fatty acid - Branched fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br).
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	3-(fluoromethyl)cyclobutane-1-carboxylic acid
INCHI	InChI=1S/C6H9FO2/c7-3-4-1-5(2-4)6(8)9/h4-5H,1-3H2,(H,8,9)
InChIKey	CXSJFWUBXJRTNT-UHFFFAOYSA-N
Smiles	C1C(CC1C(=O)O)CF
Isomeric SMILES	C1C(CC1C(=O)O)CF
PubChem CID	84716126
Molecular Weight	132.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	132.130 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	132.059 Da
Monoisotopic Mass	132.059 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	118.000
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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