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4-Chlorobenzoic acid-[13C6]

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General Information
Catalog: BLP-002871
CAS: 1173019-28-7
Molecular Formula: C[13C]6H5ClO2
Molecular Weight: 162.57

Chemical Structure

Synonyms	4-Chlorobenzoic acid 13C6; 4-Chlorobenzoic acid-(phenyl-13C6)
IUPAC Name	4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
Related CAS	74-11-3 (unlabelled)
Isomeric SMILES	[13CH]1=[13CH][13C](=[13CH][13CH]=[13C]1C(=O)O)Cl
Canonical SMILES	C1=CC(=CC=C1C(=O)O)Cl
InChI	InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key	XRHGYUZYPHTUJZ-IDEBNGHGSA-N
Purity	98% (CP); 99% atom 13C