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2968-93-6 | Benzeneethanol, 4-(trifluoromethyl)-
CAS No: 2968-93-6 Catalog No: AG002Z3Q MDL No:MFCD06411331
Product Description
Catalog Number:
AG002Z3Q
Chemical Name:
Benzeneethanol, 4-(trifluoromethyl)-
CAS Number:
2968-93-6
Molecular Formula:
C9H9F3O
Molecular Weight:
190.1624
MDL Number:
MFCD06411331
IUPAC Name:
2-[4-(trifluoromethyl)phenyl]ethanol
InChI:
InChI=1S/C9H9F3O/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4,13H,5-6H2
InChI Key:
SXMYWTQEZRZKBK-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1)C(F)(F)F
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.165g/mol
Monoisotopic Mass:
190.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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