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Home > Nitro Compounds > 146400-59-1
146400-59-1 | 2-Propen-1-one, 1-(2-furanyl)-3-(5-nitro-2-furanyl)-2-(phenylsulfonyl)-
CAS No: 146400-59-1 Catalog No: AG001DYN MDL No:
Product Description
Catalog Number:
AG001DYN
Chemical Name:
2-Propen-1-one, 1-(2-furanyl)-3-(5-nitro-2-furanyl)-2-(phenylsulfonyl)-
CAS Number:
146400-59-1
Molecular Formula:
C17H11NO7S
Molecular Weight:
373.3367
IUPAC Name:
2-(benzenesulfonyl)-1-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
InChI:
InChI=1S/C17H11NO7S/c19-17(14-7-4-10-24-14)15(11-12-8-9-16(25-12)18(20)21)26(22,23)13-5-2-1-3-6-13/h1-11H
InChI Key:
BSYJHMVPLQCQEW-UHFFFAOYSA-N
SMILES:
O=C(C(=Cc1ccc(o1)[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccco1
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.026g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.335g/mol
Monoisotopic Mass:
373.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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