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874438-50-3 | Phenol, 4,4'-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethylidene]bis-
CAS No: 874438-50-3 Catalog No: AG004KCF MDL No:
Product Description
Catalog Number:
AG004KCF
Chemical Name:
Phenol, 4,4'-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethylidene]bis-
CAS Number:
874438-50-3
Molecular Formula:
C21H14F6O2
Molecular Weight:
412.3251
IUPAC Name:
4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-[3-(trifluoromethyl)phenyl]ethyl]phenol
InChI:
InChI=1S/C21H14F6O2/c22-20(23,24)16-3-1-2-15(12-16)19(21(25,26)27,13-4-8-17(28)9-5-13)14-6-10-18(29)11-7-14/h1-12,28-29H
InChI Key:
WMDMHDQOBSNFOZ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(C(F)(F)F)(c1cccc(c1)C(F)(F)F)c1ccc(cc1)O
Properties
Complexity:
508
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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