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3-(t-Butoxycarbonylamino)-4-chlorophenylboronic acid - 97%, high purity , CAS No.871329-57-6

COA

Grade & Purity:

≥97%

Cas Number: 871329-57-6
Molecular Weight: 271.5
PubChem CID: 44119797

In stock

Item Number

T187331

Grouped product items
SKU	Size	Availability	Price	Qty
T187331-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$285.90
T187331-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,775.90

Basic Description

Synonyms	871329-57-6 \| (3-((tert-Butoxycarbonyl)amino)-4-chlorophenyl)boronic acid \| 3-(t-Butoxycarbonylamino)-4-chlorophenylboronic acid \| [4-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid \| (3-{[(tert-butoxy)carbonyl]amino}-4-chlorophenyl)boronic ac
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylcarbamic acid esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylcarbamic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Phenylcarbamic acid esters
Alternative Parents	Chlorobenzenes Aryl chlorides Carbamate esters Boronic acids Organic metalloid salts Organonitrogen compounds Organometalloid compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylcarbamic acid ester - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carbamic acid ester - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organic nitrogen compound - Organochloride - Organic metalloid moeity - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
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	[4-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid
INCHI	InChI=1S/C11H15BClNO4/c1-11(2,3)18-10(15)14-9-6-7(12(16)17)4-5-8(9)13/h4-6,16-17H,1-3H3,(H,14,15)
InChIKey	YDGKXXRWQFCXOO-UHFFFAOYSA-N
Smiles	B(C1=CC(=C(C=C1)Cl)NC(=O)OC(C)(C)C)(O)O
Isomeric SMILES	B(C1=CC(=C(C=C1)Cl)NC(=O)OC(C)(C)C)(O)O
PubChem CID	44119797
Molecular Weight	271.5

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	271.510 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	271.078 Da
Monoisotopic Mass	271.078 Da
Topological Polar Surface Area	78.800 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	295.000
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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