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874438-52-5 | 2,2-Bis(4-hydroxyphenyl)-2-(4-trifluoromethylpheny trifluoromethylphenyl)trifluoroethane
CAS No: 874438-52-5 Catalog No: AG01EY1M MDL No:
Product Description
Catalog Number:
AG01EY1M
Chemical Name:
2,2-Bis(4-hydroxyphenyl)-2-(4-trifluoromethylpheny trifluoromethylphenyl)trifluoroethane
CAS Number:
874438-52-5
Molecular Formula:
C21H14F6O2
Molecular Weight:
412.3251
IUPAC Name:
4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethyl]phenol
InChI:
InChI=1S/C21H14F6O2/c22-20(23,24)16-3-1-13(2-4-16)19(21(25,26)27,14-5-9-17(28)10-6-14)15-7-11-18(29)12-8-15/h1-12,28-29H
InChI Key:
FAJNBUWLSYLTGH-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(C(F)(F)F)(c1ccc(cc1)O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.09g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
412.331g/mol
Monoisotopic Mass:
412.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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