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Home > Nitro Compounds > 115663-38-2
115663-38-2 | 1,3-Dioxolane, 2-[5-nitro-4-[(phenylsulfonyl)methyl]-2-furanyl]-
CAS No: 115663-38-2 Catalog No: AG000GOX MDL No:
Product Description
Catalog Number:
AG000GOX
Chemical Name:
1,3-Dioxolane, 2-[5-nitro-4-[(phenylsulfonyl)methyl]-2-furanyl]-
CAS Number:
115663-38-2
Molecular Formula:
C14H13NO7S
Molecular Weight:
339.3205
IUPAC Name:
2-[4-(benzenesulfonylmethyl)-5-nitrofuran-2-yl]-1,3-dioxolane
InChI:
InChI=1S/C14H13NO7S/c16-15(17)13-10(8-12(22-13)14-20-6-7-21-14)9-23(18,19)11-4-2-1-3-5-11/h1-5,8,14H,6-7,9H2
InChI Key:
WPWYZYXLYUDZBQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1oc(cc1CS(=O)(=O)c1ccccc1)C1OCCO1
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.041g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.318g/mol
Monoisotopic Mass:
339.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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