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2D Structure
Also known as: 70380-50-6, Ethyl 2-[(2,3-dichloro-6-nitrophenyl)methylamino]acetate;hydrochloride, Glycine, n-[(2,3-dichloro-6-nitrophenyl)methyl]-, ethyl ester, hydrochloride (1:1), Schembl273187
Molecular Formula
C11H13Cl3N2O4
Molecular Weight
343.6  g/mol
InChI Key
OUUNBAYMSDWITP-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 2-[(2,3-dichloro-6-nitrophenyl)methylamino]acetate;hydrochloride
2.1.2 InChI
InChI=1S/C11H12Cl2N2O4.ClH/c1-2-19-10(16)6-14-5-7-9(15(17)18)4-3-8(12)11(7)13;/h3-4,14H,2,5-6H2,1H3;1H
2.1.3 InChI Key
OUUNBAYMSDWITP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)CNCC1=C(C=CC(=C1Cl)Cl)[N+](=O)[O-].Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 70380-50-6

2. Ethyl 2-[(2,3-dichloro-6-nitrophenyl)methylamino]acetate;hydrochloride

3. Glycine, N-[(2,3-dichloro-6-nitrophenyl)methyl]-, Ethyl Ester, Hydrochloride (1:1)

4. Schembl273187

2.3 Create Date
2008-10-27
3 Chemical and Physical Properties
Molecular Weight 343.6 g/mol
Molecular Formula C11H13Cl3N2O4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass341.994090 g/mol
Monoisotopic Mass341.994090 g/mol
Topological Polar Surface Area84.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity324
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2