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Home > Fluorides > 842123-89-1
842123-89-1 | 3-(1,3-Dioxolan-2-yl)-3'-trifluoromethyl-propiophenone
CAS No: 842123-89-1 Catalog No: AG01EXMF MDL No:
Product Description
Catalog Number:
AG01EXMF
Chemical Name:
3-(1,3-Dioxolan-2-yl)-3'-trifluoromethyl-propiophenone
CAS Number:
842123-89-1
Molecular Formula:
C13H13F3O3
Molecular Weight:
274.2357
IUPAC Name:
3-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
InChI:
InChI=1S/C13H13F3O3/c14-13(15,16)10-3-1-2-9(8-10)11(17)4-5-12-18-6-7-19-12/h1-3,8,12H,4-7H2
InChI Key:
PYBQEGVBKIEXNI-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(F)(F)F)CCC1OCCO1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.239g/mol
Monoisotopic Mass:
274.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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