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Home > Fluorides > 120120-40-3
120120-40-3 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-(trifluoromethyl)-
CAS No: 120120-40-3 Catalog No: AG000QD1 MDL No:
Product Description
Catalog Number:
AG000QD1
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(trifluoromethyl)-
CAS Number:
120120-40-3
Molecular Formula:
C15H21F3O
Molecular Weight:
274.3218
IUPAC Name:
2,6-ditert-butyl-4-(trifluoromethyl)phenol
InChI:
InChI=1S/C15H21F3O/c1-13(2,3)10-7-9(15(16,17)18)8-11(12(10)19)14(4,5)6/h7-8,19H,1-6H3
InChI Key:
DCKKVAZBNUYJKW-UHFFFAOYSA-N
SMILES:
Oc1c(cc(cc1C(C)(C)C)C(F)(F)F)C(C)(C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.154g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.327g/mol
Monoisotopic Mass:
274.154g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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