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175676-42-3 | Trifluoromethyl 4-Methylbenzenesulfonate
CAS No: 175676-42-3 Catalog No: AG01FLPH MDL No:
Product Description
Catalog Number:
AG01FLPH
Chemical Name:
Trifluoromethyl 4-Methylbenzenesulfonate
CAS Number:
175676-42-3
IUPAC Name:
trifluoromethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C8H7F3O3S/c1-6-2-4-7(5-3-6)15(12,13)14-8(9,10)11/h2-5H,1H3
InChI Key:
NHBKFPDJMAEDOS-UHFFFAOYSA-N
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.196g/mol
Monoisotopic Mass:
240.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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