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2024148-52-3 | 2,2,2-Trifluoro-1-[3-(propan-2-yl)phenyl]ethan-1-ol
CAS No: 2024148-52-3 Catalog No: AG01EUHR MDL No:
Product Description
Catalog Number:
AG01EUHR
Chemical Name:
2,2,2-Trifluoro-1-[3-(propan-2-yl)phenyl]ethan-1-ol
CAS Number:
2024148-52-3
Molecular Formula:
C11H13F3O
Molecular Weight:
218.2155
IUPAC Name:
2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol
InChI:
InChI=1S/C11H13F3O/c1-7(2)8-4-3-5-9(6-8)10(15)11(12,13)14/h3-7,10,15H,1-2H3
InChI Key:
LNQRCYWZFNFMNF-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)c1cccc(c1)C(C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.219g/mol
Monoisotopic Mass:
218.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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