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(2S)-oxiran-2-ylmethyl 3-nitrobenzenesulfonate

(2S)-oxiran-2-ylmethyl 3-nitrobenzenesulfonate

CAS: 115314-14-2

Formula: C9H9NO6S

SMILES: [O-][N+](=O)C1=CC(=CC=C1)S(=O)(=O)OC[C@@H]1CO1

IUPAC: [(2S)-oxiran-2-yl]methyl 3-nitrobenzene-1-sulfonate

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

Composition: C (41.70%), H (3.50%), N (5.40%), O (37.03%), S (12.37%)

Molar Mass: 259.23

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 259.015058188
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey AIHIHVZYAAMDPM-QMMMGPOBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.23
Topological Polar Surface Area 99.04
Polarizability 22.73
Ring Count 2
Rotatable Bond Count 5

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