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29690-38-8 | Benzenemethanol, 3-(trifluoromethyl)-, 1-(4-methylbenzenesulfonate)
CAS No: 29690-38-8 Catalog No: AG002Z4O MDL No:
Product Description
Catalog Number:
AG002Z4O
Chemical Name:
Benzenemethanol, 3-(trifluoromethyl)-, 1-(4-methylbenzenesulfonate)
CAS Number:
29690-38-8
IUPAC Name:
4-methylbenzenesulfonic acid;[3-(trifluoromethyl)phenyl]methanol
InChI:
InChI=1S/C8H7F3O.C7H8O3S/c9-8(10,11)7-3-1-2-6(4-7)5-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,12H,5H2;2-5H,1H3,(H,8,9,10)
InChI Key:
FOFRBQSTJYWRBV-UHFFFAOYSA-N
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.064g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.336g/mol
Monoisotopic Mass:
348.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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