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124900-38-5

124900-38-5 | D-Leucine, N-(3,5-dinitrophenyl)-

CAS No: 124900-38-5 Catalog No: AG000MV1 MDL No:

Product Description

Catalog Number:
AG000MV1
Chemical Name:
D-Leucine, N-(3,5-dinitrophenyl)-
CAS Number:
124900-38-5
Molecular Formula:
C12H15N3O6
Molecular Weight:
297.2640
IUPAC Name:
2-(3,5-dinitroanilino)-4-methylpentanoic acid
InChI:
InChI=1S/C12H15N3O6/c1-7(2)3-11(12(16)17)13-8-4-9(14(18)19)6-10(5-8)15(20)21/h4-7,11,13H,3H2,1-2H3,(H,16,17)
InChI Key:
ZYQFEYYGAVFZSX-UHFFFAOYSA-N
SMILES:
CC(C[C@H](C(=O)O)Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C

Properties

Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.096g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
297.267g/mol
Monoisotopic Mass:
297.096g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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