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3-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazol-2(3H)-one - 98%, high purity , CAS No.1016641-53-4

COA

Grade & Purity:

≥98%

Cas Number: 1016641-53-4
Molecular Weight: 275.11
PubChem CID: 59273515

In stock

Item Number

M189333

Grouped product items
SKU	Size	Availability	Price
M189333-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$37.90
M189333-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$124.90
M189333-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$180.90
M189333-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$436.90
M189333-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,296.90

Discover 3-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazol-2(3H)-one by Aladdin Scientific in 98% for only $37.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxazoles
    - Subclass Benzoxazolones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxazoles
Subclass	Benzoxazolones
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxazolones
Alternative Parents	Benzenoids Oxazoles Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxazolone - Benzenoid - Azole - Boronic acid ester - 1,3,2-dioxaborolane - Oxazole - Heteroaromatic compound - Boronic acid derivative - Organic metalloid salt - Azacycle - Oxacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
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-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-one
INCHI	InChI=1S/C14H18BNO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-10-11(8-9)18-12(17)16(10)5/h6-8H,1-5H3
InChIKey	RRKZAEQTNGEFPO-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C(=O)O3)C
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C(=O)O3)C
Molecular Weight	275.11
Reaxy-Rn	15648436
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15648436&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	275.110 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	275.133 Da
Monoisotopic Mass	275.133 Da
Topological Polar Surface Area	48.000 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	409.000
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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