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1000521-36-7 | Benzeneethanol, 4-fluoro-2-(trifluoromethyl)-
CAS No: 1000521-36-7 Catalog No: AG0000OW MDL No:
Product Description
Catalog Number:
AG0000OW
Chemical Name:
Benzeneethanol, 4-fluoro-2-(trifluoromethyl)-
CAS Number:
1000521-36-7
Molecular Formula:
C9H8F4O
Molecular Weight:
208.1528
IUPAC Name:
2-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol
InChI:
InChI=1S/C9H8F4O/c10-7-2-1-6(3-4-14)8(5-7)9(11,12)13/h1-2,5,14H,3-4H2
InChI Key:
CSSSHEINPOXUBN-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1C(F)(F)F)F
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.156g/mol
Monoisotopic Mass:
208.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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