8-Bromoquinoline-3-carboxylic acid

Inquiry

Molecular Formula:

n1cc(cc2cccc(c12)Br)C(=O)O

Molecular Weight:

252.07

CAS Number:

347146-16-1

Catalog Number:

347146-16-1

Product Information

Molecular Formula:

n1cc(cc2cccc(c12)Br)C(=O)O

Molecular Weight:

252.07

Description

Applications: 8-bromoquinoline-3-carboxylic acid is a useful research chemical.

Synonyms

8-Bromo-3-carboxyquinoline

IUPAC Name

8-bromoquinoline-3-carboxylic acid

Canonical SMILES

C1=CC2=CC(=CN=C2C(=C1)Br)C(=O)O

InChI

InChI=1S/C10H6BrNO2/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8/h1-5H,(H,13,14)

InChI Key

QMAXUQVGYIBBKN-UHFFFAOYSA-N

Purity

95%

Computed Properties

XLogP3

2.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

250.95819 g/mol

Monoisotopic Mass

250.95819 g/mol

Topological Polar Surface Area

50.2Å²

Heavy Atom Count

Formal Charge

Complexity

234

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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8-Bromoquinoline-3-carboxylic acid

Product Information

Computed Properties

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