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Home > Nitro Compounds > 1655-57-8
1655-57-8 | L-Leucine, N-(2,4-dinitrophenyl)-
CAS No: 1655-57-8 Catalog No: AG001W6E MDL No:MFCD00038102
Product Description
Catalog Number:
AG001W6E
Chemical Name:
L-Leucine, N-(2,4-dinitrophenyl)-
CAS Number:
1655-57-8
Molecular Formula:
C12H15N3O6
Molecular Weight:
297.2640
MDL Number:
MFCD00038102
IUPAC Name:
(2S)-2-(2,4-dinitroanilino)-4-methylpentanoic acid
InChI:
InChI=1S/C12H15N3O6/c1-7(2)5-10(12(16)17)13-9-4-3-8(14(18)19)6-11(9)15(20)21/h3-4,6-7,10,13H,5H2,1-2H3,(H,16,17)/t10-/m0/s1
InChI Key:
STMDPCBYJCIZOD-JTQLQIEISA-N
SMILES:
CC(C[C@@H](C(=O)O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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