Compound C12H19ClN2O5

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

CAS: 77905-45-4

Molecular Formula	`C12H19ClN2O5`
Molecular Weight	306.74 g/mol
Topological Polar Surface Area	100.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	306.09824
Heavy Atoms	20
Complexity	265.0

Chemical Identifiers

CAS Number	77905-45-4
SMILES	`COC1=C(C=C(C=C1)C[NH+](CCO)CCO)[N+](=O)[O-].[Cl-]`
InChIKey	`OFIBISYBGYZHGJ-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H19ClN2O5 (CAS: 77905-45-4) is a chemical compound with molecular formula C12H19ClN2O5 and molecular weight 306.74 g/mol. Its IUPAC systematic name is bis(2-hydroxyethyl)-[(4-methoxy-3-nitrophenyl)methyl]azanium chloride. Topological Polar Surface Area 100.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 306.09824 Heavy Atoms 20 Complexity 265.0 InChI Key: OFIBISYBGYZHGJ-UHFFFAOYSA-N. SMILES: COC1=C(C=C(C=C1)C[NH+](CCO)CCO)[N+](=O)[O-].[Cl-].

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