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Home > Nitro Compounds > 89557-05-1
89557-05-1 | 1,2-Thiazetidine, 2-(1,1-dimethylethyl)-3-(2-nitrophenyl)-, 1,1-dioxide
CAS No: 89557-05-1 Catalog No: AG003ZMU MDL No:
Product Description
Catalog Number:
AG003ZMU
Chemical Name:
1,2-Thiazetidine, 2-(1,1-dimethylethyl)-3-(2-nitrophenyl)-, 1,1-dioxide
CAS Number:
89557-05-1
Molecular Formula:
C12H16N2O4S
Molecular Weight:
284.3314
IUPAC Name:
2-tert-butyl-3-(2-nitrophenyl)thiazetidine 1,1-dioxide
InChI:
InChI=1S/C12H16N2O4S/c1-12(2,3)13-11(8-19(13,17)18)9-6-4-5-7-10(9)14(15)16/h4-7,11H,8H2,1-3H3
InChI Key:
FMSHPVGVIPOBBJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C1CS(=O)(=O)N1C(C)(C)C
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.33g/mol
Monoisotopic Mass:
284.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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