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Home > Nitro Compounds > 143731-47-9
143731-47-9 | L-Methionine, N-(4-nitrobenzoyl)-
CAS No: 143731-47-9 Catalog No: AG001IAO MDL No:
Product Description
Catalog Number:
AG001IAO
Chemical Name:
L-Methionine, N-(4-nitrobenzoyl)-
CAS Number:
143731-47-9
Molecular Formula:
C12H14N2O5S
Molecular Weight:
298.3150
IUPAC Name:
(2S)-4-methylsulfanyl-2-[(4-nitrobenzoyl)amino]butanoic acid
InChI:
InChI=1S/C12H14N2O5S/c1-20-7-6-10(12(16)17)13-11(15)8-2-4-9(5-3-8)14(18)19/h2-5,10H,6-7H2,1H3,(H,13,15)(H,16,17)/t10-/m0/s1
InChI Key:
MFBMBHDJLFLUEP-JTQLQIEISA-N
SMILES:
CSCC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
298.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.313g/mol
Monoisotopic Mass:
298.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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