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Home > Nitro Compounds > 86428-23-1
86428-23-1 | Oxaziridine, 3-(4-nitrophenyl)-2-(phenylsulfonyl)-
CAS No: 86428-23-1 Catalog No: AG004XAQ MDL No:
Product Description
Catalog Number:
AG004XAQ
Chemical Name:
Oxaziridine, 3-(4-nitrophenyl)-2-(phenylsulfonyl)-
CAS Number:
86428-23-1
Molecular Formula:
C13H10N2O5S
Molecular Weight:
306.2939
IUPAC Name:
2-(benzenesulfonyl)-3-(4-nitrophenyl)oxaziridine
InChI:
InChI=1S/C13H10N2O5S/c16-14(17)11-8-6-10(7-9-11)13-15(20-13)21(18,19)12-4-2-1-3-5-12/h1-9,13H
InChI Key:
FOCMGMLZIAKWIY-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)N1OC1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.031g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.292g/mol
Monoisotopic Mass:
306.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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