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Product Overview

Product Code

TRC-C379607

CAS Number

1189880-12-3

Product Format

Neat

Molecular Formula

C13H6D4ClNO

Molecular Weight

235.7

Unlabelled CAS Number

31251-55-5

Product Information

Chemical Data

Analyte Name

2-(3-Chlorophenyl)-1-(3-pyridinyl-d4)-1-ethanone

CAS Number

1189880-12-3

Molecular Formula

C13H6D4ClNO

Molecular Weight

235.7

Accurate Mass

235.0702

SMILES

[2H]c1nc([2H])c(C(=O)Cc2cccc(Cl)c2)c([2H])c1[2H]

InChI

InChI=1S/C13H10ClNO/c14-12-5-1-3-10(7-12)8-13(16)11-4-2-6-15-9-11/h1-7,9H,8H2/i2D,4D,6D,9D

IUPAC

2-(3-chlorophenyl)-1-(2,4,5,6-tetradeuteriopyridin-3-yl)ethanone

Unlabelled CAS Number

31251-55-5

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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