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Home > Fluorides > 101030-73-3
101030-73-3 | Benzenesulfonyl fluoride, 3-[4,4,4-trifluoro-1-oxo-3-(trifluoromethyl)-2-buten-1-yl]-
CAS No: 101030-73-3 Catalog No: AG0003LD MDL No:
Product Description
Catalog Number:
AG0003LD
Chemical Name:
Benzenesulfonyl fluoride, 3-[4,4,4-trifluoro-1-oxo-3-(trifluoromethyl)-2-buten-1-yl]-
CAS Number:
101030-73-3
Molecular Formula:
C11H5F7O3S
Molecular Weight:
350.2094
IUPAC Name:
3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoyl]benzenesulfonyl fluoride
InChI:
InChI=1S/C11H5F7O3S/c12-10(13,14)9(11(15,16)17)5-8(19)6-2-1-3-7(4-6)22(18,20)21/h1-5H
InChI Key:
QJPKZBQTZLBBJX-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)S(=O)(=O)F)C=C(C(F)(F)F)C(F)(F)F
NSC Number:
162342
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.985g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.207g/mol
Monoisotopic Mass:
349.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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