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86571-21-3 | 4-(2,2,2-trifluoroethyl)phenol
CAS No: 86571-21-3 Catalog No: AG01EXZH MDL No:
Product Description
Catalog Number:
AG01EXZH
Chemical Name:
4-(2,2,2-trifluoroethyl)phenol
CAS Number:
86571-21-3
Molecular Formula:
C8H7F3O
Molecular Weight:
176.1358
IUPAC Name:
4-(2,2,2-trifluoroethyl)phenol
InChI:
InChI=1S/C8H7F3O/c9-8(10,11)5-6-1-3-7(12)4-2-6/h1-4,12H,5H2
InChI Key:
HMEGMFBZSGWLGS-UHFFFAOYSA-N
SMILES:
FC(Cc1ccc(cc1)O)(F)F
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.138g/mol
Monoisotopic Mass:
176.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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