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1882-01-5 | Phenol, 4,4'-(2,2,2-trifluoro-1-phenylethylidene)bis-
CAS No: 1882-01-5 Catalog No: AG002GRU MDL No:
Product Description
Catalog Number:
AG002GRU
Chemical Name:
Phenol, 4,4'-(2,2,2-trifluoro-1-phenylethylidene)bis-
CAS Number:
1882-01-5
Molecular Formula:
C20H15F3O2
Molecular Weight:
344.3271
IUPAC Name:
4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-phenylethyl]phenol
InChI:
InChI=1S/C20H15F3O2/c21-20(22,23)19(14-4-2-1-3-5-14,15-6-10-17(24)11-7-15)16-8-12-18(25)13-9-16/h1-13,24-25H
InChI Key:
MQTKRZKZCDBRIG-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(C(F)(F)F)(c1ccc(cc1)O)c1ccccc1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.102g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.333g/mol
Monoisotopic Mass:
344.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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