(2-acetamidophenyl)boronic acid

Name: (2-acetamidophenyl)boronic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C8H10BNO3

Molecular Weight:

178.981

CAS Number:

169760-16-1

Catalog Number:

169760-16-1

Product Information

Molecular Formula:

C8H10BNO3

Molecular Weight:

178.981

Description

Reactant for preparation of:• Highly substituted acenes via rhodium-catalyzed oxidative coupling with alkynes• Anticancer pyrimidines with multiple-kinase inhibitory effect• 3,4-ring fused 7-azaindoles and deazapurines as potent JAK2 inhibitors• Polycyclic azaindoles as JAK2 inhibitors• ROS1 receptor tyrosine kinase inhibitors• 2-aminopyrazolopyridines as Polo-like kinase 1 inhibitors

Synonyms

(2-Acetylaminophenyl)boronic acid,2-Carbamoylbenzeneboronic acid

IUPAC Name

(2-acetamidophenyl)boronic acid

Canonical SMILES

B(C1=CC=CC=C1NC(=O)C)(O)O

InChI

InChI=1S/C8H10BNO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5,12-13H,1H3,(H,10,11)

InChI Key

UMOPBIVXPOETPG-UHFFFAOYSA-N

Melting Point

>300 °C

Flash Point

Not applicable

Purity

≥95%

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

179.0753733 g/mol

Monoisotopic Mass

179.0753733 g/mol

Topological Polar Surface Area

69.6Å²

Heavy Atom Count

Formal Charge

Complexity

186

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

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