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Home > Fluorides > 1263313-09-2
1263313-09-2 | 1-Propanone, 2,2-dimethyl-1-[4-(trifluoromethoxy)phenyl]-
CAS No: 1263313-09-2 Catalog No: AG000SMX MDL No:MFCD20441947
Product Description
Catalog Number:
AG000SMX
Chemical Name:
1-Propanone, 2,2-dimethyl-1-[4-(trifluoromethoxy)phenyl]-
CAS Number:
1263313-09-2
Molecular Formula:
C12H13F3O2
Molecular Weight:
246.2256
MDL Number:
MFCD20441947
IUPAC Name:
2,2-dimethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-one
InChI:
InChI=1S/C12H13F3O2/c1-11(2,3)10(16)8-4-6-9(7-5-8)17-12(13,14)15/h4-7H,1-3H3
InChI Key:
VTGSZGVSKUSSMP-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.229g/mol
Monoisotopic Mass:
246.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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