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Home > Nitro Compounds > 50571-61-4
50571-61-4 | L-Leucine, N-[(2-nitrophenyl)thio]-
CAS No: 50571-61-4 Catalog No: AG00I930 MDL No:MFCD00070577
Product Description
Catalog Number:
AG00I930
Chemical Name:
L-Leucine, N-[(2-nitrophenyl)thio]-
CAS Number:
50571-61-4
Molecular Formula:
C12H16N2O4S
Molecular Weight:
284.3314
MDL Number:
MFCD00070577
IUPAC Name:
(2S)-4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid
InChI:
InChI=1S/C12H16N2O4S/c1-8(2)7-9(12(15)16)13-19-11-6-4-3-5-10(11)14(17)18/h3-6,8-9,13H,7H2,1-2H3,(H,15,16)/t9-/m0/s1
InChI Key:
OITRGNOZDXVYFU-VIFPVBQESA-N
SMILES:
CC(C[C@@H](C(=O)O)NSc1ccccc1[N+](=O)[O-])C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
284.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.33g/mol
Monoisotopic Mass:
284.083g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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