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Home > Nitro Compounds > 683276-63-3
683276-63-3 | (S)-(2-Methyloxiran-2-Yl)Methyl 4-Nitrobenzenesulfonate
CAS No: 683276-63-3 Catalog No: AG01DII3 MDL No:
Product Description
Catalog Number:
AG01DII3
Chemical Name:
(S)-(2-Methyloxiran-2-Yl)Methyl 4-Nitrobenzenesulfonate
CAS Number:
683276-63-3
Molecular Formula:
C10H11NO6S
Molecular Weight:
273.2624
IUPAC Name:
[(2S)-2-methyloxiran-2-yl]methyl 4-nitrobenzenesulfonate
InChI:
InChI=1S/C10H11NO6S/c1-10(6-16-10)7-17-18(14,15)9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3/t10-/m0/s1
InChI Key:
NXRMOVSGORLBCA-JTQLQIEISA-N
SMILES:
C[C@@]1(OC1)COS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
273.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.259g/mol
Monoisotopic Mass:
273.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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