N-(2,4-Dinitrophenyl)-L-alanine methyl ester

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Catalog Number

ACM10420630

Product Name

Structure

CAS

10420-63-0

Category

Heterocyclic Organic Compound

IUPAC Name

methyl (2S)-2-(2,4-dinitroanilino)propanoate

Molecular Weight

269.21g/mol

Molecular Formula

C10H11N3O6

Canonical SMILES

CC(C(=O)OC)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O6/c1-6(10(14)19-2)11-8-4-3-7(12(15)16)5-9(8)13(17)18/h3-6,11H,1-2H3/t6-/m0/s1

InChI Key

RXDDNUKGTCKLDT-LURJTMIESA-N

Complexity

363

Covalently-Bonded Unit Count

Exact Mass

269.064785g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

269.064785g/mol

Rotatable Bond Count

XLogP3

2.5

MSDS

COA

Spec Sheet

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