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(4-Chlorobenzoylamino)malonic Acid (Diethyl Ester-[d4])

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(4-Chlorobenzoylamino)malonic Acid (Diethyl Ester-[d4])

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General Information
Catalog: BLP-007802
CAS: 1216553-23-9
Molecular Formula: C14H12D4ClNO5
Molecular Weight: 317.76

Chemical Structure

Description	A labelled form of Diethyl 2-(4-Chlorobenzamido)malonate.
Synonyms	1,3-diethyl 2-{[4-chloro(D4)phenyl]formamido}propanedioate
IUPAC Name	diethyl 2-[(4-chloro-2,3,5,6-tetradeuteriobenzoyl)amino]propanedioate
Related CAS	81918-01-6 (unlabelled)
Canonical SMILES	CCOC(=O)C(C(=O)OCC)NC(=O)C1=CC=C(C=C1)Cl
InChI	InChI=1S/C14H16ClNO5/c1-3-20-13(18)11(14(19)21-4-2)16-12(17)9-5-7-10(15)8-6-9/h5-8,11H,3-4H2,1-2H3,(H,16,17)/i5D,6D,7D,8D
InChI Key	KTKBMOLVXVIHQA-KDWZCNHSSA-N
Purity	>98%
Solubility	Soluble in Chloroform, Dichloromethane
Appearance	White Solid