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Home > Nitro Compounds > 24478-47-5
24478-47-5 | 2-Propenenitrile, 3-(5-nitro-2-furanyl)-2-(phenylsulfonyl)-
CAS No: 24478-47-5 Catalog No: AG002OA4 MDL No:
Product Description
Catalog Number:
AG002OA4
Chemical Name:
2-Propenenitrile, 3-(5-nitro-2-furanyl)-2-(phenylsulfonyl)-
CAS Number:
24478-47-5
Molecular Formula:
C13H8N2O5S
Molecular Weight:
304.2780
IUPAC Name:
2-(benzenesulfonyl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile
InChI:
InChI=1S/C13H8N2O5S/c14-9-12(8-10-6-7-13(20-10)15(16)17)21(18,19)11-4-2-1-3-5-11/h1-8H
InChI Key:
BVFXFLZKFVRRAJ-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(o1)[N+](=O)[O-])S(=O)(=O)c1ccccc1
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.015g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.276g/mol
Monoisotopic Mass:
304.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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