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Home > Fluorides > 821789-44-0
821789-44-0 | 1-Propanone, 3,3,3-trifluoro-1-(4-fluorophenyl)-2-hydroxy-2-methyl-
CAS No: 821789-44-0 Catalog No: AG005I69 MDL No:
Product Description
Catalog Number:
AG005I69
Chemical Name:
1-Propanone, 3,3,3-trifluoro-1-(4-fluorophenyl)-2-hydroxy-2-methyl-
CAS Number:
821789-44-0
Molecular Formula:
C10H8F4O2
Molecular Weight:
236.1629
IUPAC Name:
3,3,3-trifluoro-1-(4-fluorophenyl)-2-hydroxy-2-methylpropan-1-one
InChI:
InChI=1S/C10H8F4O2/c1-9(16,10(12,13)14)8(15)6-2-4-7(11)5-3-6/h2-5,16H,1H3
InChI Key:
KYDFGZVCUIZXMX-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)C(C(F)(F)F)(O)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.166g/mol
Monoisotopic Mass:
236.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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