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2-Bromobenzoic acid-(phenyl-[13C6])

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General Information
Catalog: BLP-005660
CAS: 1173019-03-8
Molecular Formula: [13C]6CH5BrO2
Molecular Weight: 206.97

Chemical Structure

Description	2-Bromobenzoic acid-(phenyl-[13C6]) is a 13C labelled 2-Bromobenzoic Acid. 2-Bromobenzoic Acid is a sterically hindered ortho-bromo compound that is used as a starting material to synthesize quinazolinones.
IUPAC Name	6-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
Related CAS	88-65-3 (unlabelled)
Isomeric SMILES	[13CH]1=[13CH][13CH]=[13C]([13C](=[13CH]1)C(=O)O)Br
Canonical SMILES	C1=CC=C(C(=C1)C(=O)O)Br
InChI	InChI=1S/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key	XRXMNWGCKISMOH-IDEBNGHGSA-N
Melting Point	147-150°C
Purity	98% by CP; 99% atom 13C
Appearance	Solid