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Structure

2-Chloroquinolin-3-boronic acid

CAS
128676-84-6
Catalog Number
ACM128676846
Category
Boronic Acids
Molecular Weight
207.42g/mol
Molecular Formula
C9H7BClNO2

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Specification

IUPAC Name
(2-chloroquinolin-3-yl)boronic acid
Canonical SMILES
B(C1=CC2=CC=CC=C2N=C1Cl)(O)O
InChI
InChI=1S/C9H7BClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H
InChI Key
JAQXYUOPSOXQCG-UHFFFAOYSA-N
Complexity
205
Covalently-Bonded Unit Count
1
Exact Mass
207.025836g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
14
Monoisotopic Mass
207.025836g/mol
Rotatable Bond Count
1
What is the molecular formula of 2-Chloroquinolin-3-boronic acid?

The molecular formula of 2-Chloroquinolin-3-boronic acid is C9H7BClNO2.

What is the molecular weight of 2-Chloroquinolin-3-boronic acid?

The molecular weight of 2-Chloroquinolin-3-boronic acid is 207.42 g/mol.

What is the IUPAC name of 2-Chloroquinolin-3-boronic acid?

The IUPAC name of 2-Chloroquinolin-3-boronic acid is (2-chloroquinolin-3-yl)boronic acid.

What is the InChI representation of 2-Chloroquinolin-3-boronic acid?

The InChI representation of 2-Chloroquinolin-3-boronic acid is InChI=1S/C9H7BClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H.

What is the InChIKey of 2-Chloroquinolin-3-boronic acid?

The InChIKey of 2-Chloroquinolin-3-boronic acid is JAQXYUOPSOXQCG-UHFFFAOYSA-N.

What is the canonical SMILES representation of 2-Chloroquinolin-3-boronic acid?

The canonical SMILES representation of 2-Chloroquinolin-3-boronic acid is B(C1=CC2=CC=CC=C2N=C1Cl)(O)O.

What is the CAS number of 2-Chloroquinolin-3-boronic acid?

The CAS number of 2-Chloroquinolin-3-boronic acid is 128676-84-6.

What is the EPA DSSTox Substance ID of 2-Chloroquinolin-3-boronic acid?

The EPA DSSTox Substance ID of 2-Chloroquinolin-3-boronic acid is DTXSID90400737.

What is the Nikkaji Number of 2-Chloroquinolin-3-boronic acid?

The Nikkaji Number of 2-Chloroquinolin-3-boronic acid is J277.190J.

Is 2-Chloroquinolin-3-boronic acid a canonicalized compound?

Yes, 2-Chloroquinolin-3-boronic acid is a canonicalized compound.

Downstream Synthesis Route 1

  • 128676-84-6
  • 128676-94-8

Reference: [1] Patent: WO2008/57209, 2008, A1, . Location in patent: Page/Page column 58-59

Downstream Synthesis Route 2

  • 128676-84-6
  • 128676-94-8

Reference: [1]Patent: WO2008/57209,2008,A1 .Location in patent: Page/Page column 58-59

Downstream Synthesis Route 3

  • 128676-84-6
  • 1253570-39-6
  • 1253575-28-8

Reference: [1]Current Patent Assignee: AMGEN INC - WO2010/126895, 2010, A1
Location in patent: Page/Page column 336

Downstream Synthesis Route 4

  • 128676-84-6
  • 1345044-77-0
  • 1415663-45-4

Reference: [1]Saugues, Emmanuelle; Debaud, Anne-Laure; Anizon, Fabrice; Bonnefoy, Nathalie; Moreau, Pascale
[European Journal of Medicinal Chemistry, 2012, vol. 57, p. 112 - 125]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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