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189039-61-0 | Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[2-bromo-
CAS No: 189039-61-0 Catalog No: AG002HQZ MDL No:
Product Description
Catalog Number:
AG002HQZ
Chemical Name:
Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[2-bromo-
CAS Number:
189039-61-0
Molecular Formula:
C15H8Br2F6O2
Molecular Weight:
494.0212
IUPAC Name:
2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol
InChI:
InChI=1S/C15H8Br2F6O2/c16-9-5-7(1-3-11(9)24)13(14(18,19)20,15(21,22)23)8-2-4-12(25)10(17)6-8/h1-6,24-25H
InChI Key:
ZATJKMJHMPMKKW-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1Br)C(C(F)(F)F)(C(F)(F)F)c1ccc(c(c1)Br)O
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.877g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
494.025g/mol
Monoisotopic Mass:
491.88g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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