Compound C15H16Cl2N2O8

4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid

CAS: 13050-84-5

Molecular Formula	`C15H16Cl2N2O8`
Molecular Weight	423.2 g/mol
LogP	1.1
Topological Polar Surface Area	159.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	10
Exact Mass	422.02838
Heavy Atoms	27
Complexity	546.0

Chemical Identifiers

CAS Number	13050-84-5
SMILES	`C1=CC(=CC=C1C(C(COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]`
InChIKey	`LIRCDOVJWUGTMW-UHFFFAOYSA-N`

📖 Product Overview

Compound C15H16Cl2N2O8 (CAS: 13050-84-5) is a chemical compound with molecular formula C15H16Cl2N2O8 and molecular weight 423.2 g/mol. Its IUPAC systematic name is 4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoic acid. LogP 1.1 Topological Polar Surface Area 159.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 8 Rotatable Bonds 10 Exact Mass 422.02838 Heavy Atoms 27 Complexity 546.0 InChI Key: LIRCDOVJWUGTMW-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1C(C(COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-].

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