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

Catalog Number
ACM10420630
CAS Number
10420-63-0
Product Name
N-(2,4-Dinitrophenyl)-L-alanine methyl ester
Structure
Category
Organic Non-Linear Optical (NLO) Materials; Monomers
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
Purity
>98.0%(LC)
Complexity
363
Covalently-Bonded Unit Count
1
Exact Mass
269.064785g/mol
Formal Charge
0
Heavy Atom Count
19
Monoisotopic Mass
269.064785g/mol
Rotatable Bond Count
4
XLogP3
2.5
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