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13652-13-6 | Benzenemethanol, α-(trifluoromethyl)-, 1-(4-methylbenzenesulfonate)
CAS No: 13652-13-6 Catalog No: AG0011YK MDL No:
Product Description
Catalog Number:
AG0011YK
Chemical Name:
Benzenemethanol, α-(trifluoromethyl)-, 1-(4-methylbenzenesulfonate)
CAS Number:
13652-13-6
IUPAC Name:
(2,2,2-trifluoro-1-phenylethyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C15H13F3O3S/c1-11-7-9-13(10-8-11)22(19,20)21-14(15(16,17)18)12-5-3-2-4-6-12/h2-10,14H,1H3
InChI Key:
ZQSPVDCJGDZANF-UHFFFAOYSA-N
NSC Number:
142253
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.054g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.321g/mol
Monoisotopic Mass:
330.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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