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161125-44-6

161125-44-6 | Leucine, N-(4,6-dinitro-2-pyridinyl)-

CAS No: 161125-44-6 Catalog No: AG001S6N MDL No:

Product Description

Catalog Number:
AG001S6N
Chemical Name:
Leucine, N-(4,6-dinitro-2-pyridinyl)-
CAS Number:
161125-44-6
Molecular Formula:
C11H14N4O6
Molecular Weight:
298.2521
IUPAC Name:
(2S)-2-[(4,6-dinitropyridin-2-yl)amino]-4-methylpentanoic acid
InChI:
InChI=1S/C11H14N4O6/c1-6(2)3-8(11(16)17)12-9-4-7(14(18)19)5-10(13-9)15(20)21/h4-6,8H,3H2,1-2H3,(H,12,13)(H,16,17)/t8-/m0/s1
InChI Key:
JYYWJFIEVUHDKH-QMMMGPOBSA-N
SMILES:
CC(C[C@@H](C(=O)O)Nc1cc(cc(n1)[N+](=O)[O-])[N+](=O)[O-])C

Properties

Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
298.091g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
298.255g/mol
Monoisotopic Mass:
298.091g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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