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Home > Fluorides > 122489-60-5
122489-60-5 | Phenol, 2,4,6-tris(trifluoromethyl)-
CAS No: 122489-60-5 Catalog No: AG0017BG MDL No:
Product Description
Catalog Number:
AG0017BG
Chemical Name:
Phenol, 2,4,6-tris(trifluoromethyl)-
CAS Number:
122489-60-5
Molecular Formula:
C9H3F9O
Molecular Weight:
298.1051
IUPAC Name:
2,4,6-tris(trifluoromethyl)phenol
InChI:
InChI=1S/C9H3F9O/c10-7(11,12)3-1-4(8(13,14)15)6(19)5(2-3)9(16,17)18/h1-2,19H
InChI Key:
VFRSJKZNKXMYNC-UHFFFAOYSA-N
SMILES:
Oc1c(cc(cc1C(F)(F)F)C(F)(F)F)C(F)(F)F
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.004g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.108g/mol
Monoisotopic Mass:
298.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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