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Home > Fluorides > 1000527-68-3
1000527-68-3 | Benzeneethanol, 2-fluoro-6-(trifluoromethyl)-
CAS No: 1000527-68-3 Catalog No: AG0000OP MDL No:MFCD09926249
Product Description
Catalog Number:
AG0000OP
Chemical Name:
Benzeneethanol, 2-fluoro-6-(trifluoromethyl)-
CAS Number:
1000527-68-3
Molecular Formula:
C9H8F4O
Molecular Weight:
208.1528
MDL Number:
MFCD09926249
IUPAC Name:
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
InChI:
InChI=1S/C9H8F4O/c10-8-3-1-2-7(9(11,12)13)6(8)4-5-14/h1-3,14H,4-5H2
InChI Key:
JJSXYZZJEBJEPI-UHFFFAOYSA-N
SMILES:
OCCc1c(F)cccc1C(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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