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Home > Fluorides > 1443322-58-4
1443322-58-4 | 3',4'-Difluoro-5'-methoxybutyrophenone
CAS No: 1443322-58-4 Catalog No: AG01FCQR MDL No:
Product Description
Catalog Number:
AG01FCQR
Chemical Name:
3',4'-Difluoro-5'-methoxybutyrophenone
CAS Number:
1443322-58-4
Molecular Formula:
C11H12F2O2
Molecular Weight:
214.2086
IUPAC Name:
1-(3,4-difluoro-5-methoxyphenyl)butan-1-one
InChI:
InChI=1S/C11H12F2O2/c1-3-4-9(14)7-5-8(12)11(13)10(6-7)15-2/h5-6H,3-4H2,1-2H3
InChI Key:
IGMVVJBEXQIQNC-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1cc(F)c(c(c1)OC)F
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.212g/mol
Monoisotopic Mass:
214.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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