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Home > Nitro Compounds > 89841-17-8
89841-17-8 | Benzenemethanesulfonic acid, 2,4-dinitro-, 2,2-dimethylpropyl ester
CAS No: 89841-17-8 Catalog No: AG003XH6 MDL No:
Product Description
Catalog Number:
AG003XH6
Chemical Name:
Benzenemethanesulfonic acid, 2,4-dinitro-, 2,2-dimethylpropyl ester
CAS Number:
89841-17-8
Molecular Formula:
C12H16N2O7S
Molecular Weight:
332.3296
IUPAC Name:
2,2-dimethylpropyl (2,4-dinitrophenyl)methanesulfonate
InChI:
InChI=1S/C12H16N2O7S/c1-12(2,3)8-21-22(19,20)7-9-4-5-10(13(15)16)6-11(9)14(17)18/h4-6H,7-8H2,1-3H3
InChI Key:
AZRBYWFQBGSHNO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1CS(=O)(=O)OCC(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.327g/mol
Monoisotopic Mass:
332.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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