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3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid-[13C6]

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General Information
Catalog: BLP-006534
Molecular Formula: C2[13C]6H3ClF4O2
Molecular Weight: 248.51

Chemical Structure

Synonyms	[U-Ring-13C6]-3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid; 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid-13C6
IUPAC Name	3-chloro-2-fluoro-5-(trifluoromethyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
Related CAS	129931-45-9 (unlabelled)
Canonical SMILES	C1=C(C=C(C(=C1C(=O)O)F)Cl)C(F)(F)F
InChI	InChI=1S/C8H3ClF4O2/c9-5-2-3(8(11,12)13)1-4(6(5)10)7(14)15/h1-2H,(H,14,15)/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key	UINXNXRHKMRASA-IDEBNGHGSA-N
Purity	≥98%; ≥99% atom 13C
Appearance	Light Yellow Powder