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Home > Fluorides > 842124-00-9
842124-00-9 | 3',4'-Difluoro-3-(1,3-dioxolan-2-yl)propiophenone
CAS No: 842124-00-9 Catalog No: AG01EXMJ MDL No:
Product Description
Catalog Number:
AG01EXMJ
Chemical Name:
3',4'-Difluoro-3-(1,3-dioxolan-2-yl)propiophenone
CAS Number:
842124-00-9
Molecular Formula:
C12H12F2O3
Molecular Weight:
242.2187
IUPAC Name:
1-(3,4-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
InChI:
InChI=1S/C12H12F2O3/c13-9-2-1-8(7-10(9)14)11(15)3-4-12-16-5-6-17-12/h1-2,7,12H,3-6H2
InChI Key:
BAQVKFWFMLAPDA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)F)F)CCC1OCCO1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.222g/mol
Monoisotopic Mass:
242.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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