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Home > Nitro Compounds > 86132-66-3
86132-66-3 | Benzenesulfonic acid, 2-nitro-, (2S)-oxiranylmethyl ester
CAS No: 86132-66-3 Catalog No: AG004P2M MDL No:
Product Description
Catalog Number:
AG004P2M
Chemical Name:
Benzenesulfonic acid, 2-nitro-, (2S)-oxiranylmethyl ester
CAS Number:
86132-66-3
Molecular Formula:
C9H9NO6S
Molecular Weight:
259.2359
IUPAC Name:
[(2S)-oxiran-2-yl]methyl 2-nitrobenzenesulfonate
InChI:
InChI=1S/C9H9NO6S/c11-10(12)8-3-1-2-4-9(8)17(13,14)16-6-7-5-15-7/h1-4,7H,5-6H2/t7-/m0/s1
InChI Key:
VQUHIYRJBXIKPG-ZETCQYMHSA-N
SMILES:
[O-][N+](=O)c1ccccc1S(=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:
0.8
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