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Home > Nitro Compounds > 160422-19-5
160422-19-5 | L-Alanine, N-[[2-[(4-nitrophenyl)sulfonyl]ethoxy]carbonyl]-
CAS No: 160422-19-5 Catalog No: AG001RWS MDL No:
Product Description
Catalog Number:
AG001RWS
Chemical Name:
L-Alanine, N-[[2-[(4-nitrophenyl)sulfonyl]ethoxy]carbonyl]-
CAS Number:
160422-19-5
Molecular Formula:
C12H14N2O8S
Molecular Weight:
346.3132
IUPAC Name:
(2S)-2-[2-(4-nitrophenyl)sulfonylethoxycarbonylamino]propanoic acid
InChI:
InChI=1S/C12H14N2O8S/c1-8(11(15)16)13-12(17)22-6-7-23(20,21)10-4-2-9(3-5-10)14(18)19/h2-5,8H,6-7H2,1H3,(H,13,17)(H,15,16)/t8-/m0/s1
InChI Key:
GGCNVMXIYBYFCH-QMMMGPOBSA-N
SMILES:
O=C(N[C@H](C(=O)O)C)OCCS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
346.047g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.31g/mol
Monoisotopic Mass:
346.047g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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