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Home > Nitro Compounds > 69220-95-7
69220-95-7 | Glycine, N-[S-(2,4-dinitrophenyl)-L-cysteinyl]-
CAS No: 69220-95-7 Catalog No: AG005KKP MDL No:
Product Description
Catalog Number:
AG005KKP
Chemical Name:
Glycine, N-[S-(2,4-dinitrophenyl)-L-cysteinyl]-
CAS Number:
69220-95-7
Molecular Formula:
C11H12N4O7S
Molecular Weight:
344.3006
IUPAC Name:
2-[[(2R)-2-amino-3-(2,4-dinitrophenyl)sulfanylpropanoyl]amino]acetic acid
InChI:
InChI=1S/C11H12N4O7S/c12-7(11(18)13-4-10(16)17)5-23-9-2-1-6(14(19)20)3-8(9)15(21)22/h1-3,7H,4-5,12H2,(H,13,18)(H,16,17)/t7-/m0/s1
InChI Key:
JUMIEBAUMAMDRY-ZETCQYMHSA-N
SMILES:
OC(=O)CNC(=O)[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
344.043g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
344.298g/mol
Monoisotopic Mass:
344.043g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
209A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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