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methyl 1-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylate - 97%, high purity , CAS No.1449662-38-7

COA

Grade & Purity:

≥97%

Cas Number: 1449662-38-7
Molecular Weight: 284.13
PubChem CID: 89734423

In stock

Item Number

M629294

Grouped product items
SKU	Size	Availability	Price
M629294-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
M629294-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$310.90
M629294-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$517.90
M629294-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$775.90
M629294-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,881.90

Basic Description

Synonyms	1449662-38-7 \| methyl 1-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylate \| SCHEMBL15166656 \| MFCD28388369 \| AKOS040767067 \| PB40706 \| AS-79177 \| P19457 \| methyl1-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclo
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Boronic acid derivatives
    - Subclass Boronic acid esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Boronic acid derivatives
Subclass	Boronic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Boronic acid esters
Alternative Parents	Methyl esters Dioxaborolanes Alpha-halocarboxylic acid derivatives Oxacyclic compounds Organic metalloid salts Monocarboxylic acids and derivatives Organometalloid compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Boronic acid ester - 1,3,2-dioxaborolane - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organic metalloid salt - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organic metalloid moeity - Organofluoride - Organooxygen compound - Organic oxide - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as boronic acid esters. These are compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl, aryl; X= any O, N, Hal residue).
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	methyl 1-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylate
INCHI	InChI=1S/C14H22BFO4/c1-12(2)13(3,4)20-15(19-12)10-6-8-14(16,9-7-10)11(17)18-5/h6H,7-9H2,1-5H3
InChIKey	MLQPANZPCLFLHR-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)(C(=O)OC)F
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)(C(=O)OC)F
PubChem CID	89734423
Molecular Weight	284.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	284.130 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	284.16 Da
Monoisotopic Mass	284.16 Da
Topological Polar Surface Area	44.800 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	430.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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