Compound C12H17Cl3N2O3

bis(2-chloroethyl)-[(4-methoxy-3-nitrophenyl)methyl]azanium chloride

CAS: 77905-51-2

Molecular Formula	`C12H17Cl3N2O3`
Molecular Weight	343.6 g/mol
Topological Polar Surface Area	59.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	342.0305
Heavy Atoms	20
Complexity	270.0

Chemical Identifiers

CAS Number	77905-51-2
SMILES	`COC1=C(C=C(C=C1)C[NH+](CCCl)CCCl)[N+](=O)[O-].[Cl-]`
InChIKey	`KQBVNBUWPUIXDB-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H17Cl3N2O3 (CAS: 77905-51-2) is a chemical compound with molecular formula C12H17Cl3N2O3 and molecular weight 343.6 g/mol. Its IUPAC systematic name is bis(2-chloroethyl)-[(4-methoxy-3-nitrophenyl)methyl]azanium chloride. Topological Polar Surface Area 59.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 342.0305 Heavy Atoms 20 Complexity 270.0 InChI Key: KQBVNBUWPUIXDB-UHFFFAOYSA-N. SMILES: COC1=C(C=C(C=C1)C[NH+](CCCl)CCCl)[N+](=O)[O-].[Cl-].

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