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Home > Nitro Compounds > 162537-10-2
162537-10-2 | L-Valine, N-[(4-nitrophenoxy)carbonyl]-, methyl ester
CAS No: 162537-10-2 Catalog No: AG001T8W MDL No:MFCD07369596
Product Description
Catalog Number:
AG001T8W
Chemical Name:
L-Valine, N-[(4-nitrophenoxy)carbonyl]-, methyl ester
CAS Number:
162537-10-2
Molecular Formula:
C13H16N2O6
Molecular Weight:
296.2759
MDL Number:
MFCD07369596
IUPAC Name:
methyl (2S)-3-methyl-2-[(4-nitrophenoxy)carbonylamino]butanoate
InChI:
InChI=1S/C13H16N2O6/c1-8(2)11(12(16)20-3)14-13(17)21-10-6-4-9(5-7-10)15(18)19/h4-8,11H,1-3H3,(H,14,17)/t11-/m0/s1
InChI Key:
HMDFMFXSUVWFSQ-NSHDSACASA-N
SMILES:
COC(=O)[C@H](C(C)C)NC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
296.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.279g/mol
Monoisotopic Mass:
296.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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