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Home > Nitro Compounds > 140215-96-9
140215-96-9 | Glycine, N-[(2,4,6-trinitrophenyl)sulfonyl]-
CAS No: 140215-96-9 Catalog No: AG001C5P MDL No:
Product Description
Catalog Number:
AG001C5P
Chemical Name:
Glycine, N-[(2,4,6-trinitrophenyl)sulfonyl]-
CAS Number:
140215-96-9
Molecular Formula:
C8H6N4O10S
Molecular Weight:
350.2190
IUPAC Name:
2-[(2,4,6-trinitrophenyl)sulfonylamino]acetic acid
InChI:
InChI=1S/C8H6N4O10S/c13-7(14)3-9-23(21,22)8-5(11(17)18)1-4(10(15)16)2-6(8)12(19)20/h1-2,9H,3H2,(H,13,14)
InChI Key:
YEXWOFVBUZRVSU-UHFFFAOYSA-N
SMILES:
OC(=O)CNS(=O)(=O)c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.98g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.214g/mol
Monoisotopic Mass:
349.98g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
229A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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