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88486-62-8 | Benzeneethanol, 4-(3,3,3-trifluoro-2-methylpropyl)-
CAS No: 88486-62-8 Catalog No: AG0049UB MDL No:
Product Description
Catalog Number:
AG0049UB
Chemical Name:
Benzeneethanol, 4-(3,3,3-trifluoro-2-methylpropyl)-
CAS Number:
88486-62-8
Molecular Formula:
C12H15F3O
Molecular Weight:
232.2421
IUPAC Name:
2-[4-(3,3,3-trifluoro-2-methylpropyl)phenyl]ethanol
InChI:
InChI=1S/C12H15F3O/c1-9(12(13,14)15)8-11-4-2-10(3-5-11)6-7-16/h2-5,9,16H,6-8H2,1H3
InChI Key:
BQNMXXATFDVSAQ-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1)CC(C(F)(F)F)C
Properties
Complexity:
195
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:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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