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14248-28-3 | 2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
CAS No: 14248-28-3 Catalog No: AG01F8AJ MDL No:
Product Description
Catalog Number:
AG01F8AJ
Chemical Name:
2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
CAS Number:
14248-28-3
Molecular Formula:
C12H15F3O
Molecular Weight:
232.2421
IUPAC Name:
2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
InChI:
InChI=1S/C12H15F3O/c1-11(2,8-16)7-9-3-5-10(6-4-9)12(13,14)15/h3-6,16H,7-8H2,1-2H3
InChI Key:
HLEUYWWAOKAWBG-UHFFFAOYSA-N
SMILES:
OCC(Cc1ccc(cc1)C(F)(F)F)(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.246g/mol
Monoisotopic Mass:
232.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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