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19188-65-9 | Benzenesulfonyl fluoride, 4-[[3-(3-nitrophenyl)-1-oxo-2-propen-1-yl]amino]-
CAS No: 19188-65-9 Catalog No: AG002FJ7 MDL No:
Product Description
Catalog Number:
AG002FJ7
Chemical Name:
Benzenesulfonyl fluoride, 4-[[3-(3-nitrophenyl)-1-oxo-2-propen-1-yl]amino]-
CAS Number:
19188-65-9
Molecular Formula:
C15H11FN2O5S
Molecular Weight:
350.3216
IUPAC Name:
4-[3-(3-nitrophenyl)prop-2-enoylamino]benzenesulfonyl fluoride
InChI:
InChI=1S/C15H11FN2O5S/c16-24(22,23)14-7-5-12(6-8-14)17-15(19)9-4-11-2-1-3-13(10-11)18(20)21/h1-10H,(H,17,19)
InChI Key:
BTLLFNKWFUSWGY-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)S(=O)(=O)F)C=Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.037g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.32g/mol
Monoisotopic Mass:
350.037g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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