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Home > Fluorides > 124004-74-6
124004-74-6 | Benzenemethanol, 2-fluoro-α-(trifluoromethyl)-
CAS No: 124004-74-6 Catalog No: AG000LEU MDL No:MFCD16067929
Product Description
Catalog Number:
AG000LEU
Chemical Name:
Benzenemethanol, 2-fluoro-α-(trifluoromethyl)-
CAS Number:
124004-74-6
Molecular Formula:
C8H6F4O
Molecular Weight:
194.1263
MDL Number:
MFCD16067929
IUPAC Name:
2,2,2-trifluoro-1-(2-fluorophenyl)ethanol
InChI:
InChI=1S/C8H6F4O/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4,7,13H
InChI Key:
PTVUXYXOBKWMNP-UHFFFAOYSA-N
SMILES:
Fc1ccccc1C(C(F)(F)F)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.129g/mol
Monoisotopic Mass:
194.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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