Product Code

TRC-M128120

CAS Number

1415589-03-5

Product Format

Neat

Molecular Formula

C17H20ClN3O3

Molecular Weight

349.82

Product Categories

TRC

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

rel-(1R,2S,3R) Metconazole Carboxylic Acid

CAS Number

1415589-03-5

Molecular Formula

C17H20ClN3O3

Molecular Weight

349.82

Accurate Mass

349.12

SMILES

O[C@@]1([C@@](C)(CC[C@@H]1CC2=CC=C(Cl)C=C2)C(O)=O)CN3C=NC=N3

InChI

InChI=1S/C17H20ClN3O3/c1-16(15(22)23)7-6-13(8-12-2-4-14(18)5-3-12)17(16,24)9-21-11-19-10-20-21/h2-5,10-11,13,24H,6-9H2,1H3,(H,22,23)/t13-,16+,17+/m1/s1

IUPAC

(1R,2S,3R)-2-((1H-1,2,4-triazol-1-yl)methyl)-3-(4-chlorobenzyl)-2-hydroxy-1-methylcyclopentane-1-carboxylic acid

Product Data

Country of Origin

CANADA

Product Format

Neat

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rel-(1R,2S,3R) Metconazole Carboxylic Acid

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