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Home > Nitro Compounds > 115314-14-2
115314-14-2 | (S)-Oxiran-2-ylmethyl 3-nitrobenzenesulfonate
CAS No: 115314-14-2 Catalog No: AG0032G5 MDL No:MFCD00064582
Product Description
Catalog Number:
AG0032G5
Chemical Name:
(S)-Oxiran-2-ylmethyl 3-nitrobenzenesulfonate
CAS Number:
115314-14-2
Molecular Formula:
C9H9NO6S
Molecular Weight:
259.2359
MDL Number:
MFCD00064582
IUPAC Name:
[(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate
InChI:
InChI=1S/C9H9NO6S/c11-10(12)7-2-1-3-9(4-7)17(13,14)16-6-8-5-15-8/h1-4,8H,5-6H2/t8-/m0/s1
InChI Key:
AIHIHVZYAAMDPM-QMMMGPOBSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@@H]1CO1
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
259.015g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.232g/mol
Monoisotopic Mass:
259.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Chiral trialkanolamine-based hemicryptophanes: synthesis and oxovanadium complex. | Organic letters 20050331 |
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