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89520-76-3 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-(pentafluoroethyl)-
CAS No: 89520-76-3 Catalog No: AG0040OZ MDL No:
Product Description
Catalog Number:
AG0040OZ
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(pentafluoroethyl)-
CAS Number:
89520-76-3
Molecular Formula:
C16H21F5O
Molecular Weight:
324.3294
IUPAC Name:
2,6-ditert-butyl-4-(1,1,2,2,2-pentafluoroethyl)phenol
InChI:
InChI=1S/C16H21F5O/c1-13(2,3)10-7-9(15(17,18)16(19,20)21)8-11(12(10)22)14(4,5)6/h7-8,22H,1-6H3
InChI Key:
CPCYJZBAERKIGR-UHFFFAOYSA-N
SMILES:
Oc1c(cc(cc1C(C)(C)C)C(C(F)(F)F)(F)F)C(C)(C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.151g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.335g/mol
Monoisotopic Mass:
324.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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