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Home > Fluorides > 1314937-72-8
1314937-72-8 | 3'-Fluoro-5'-methylbutyrophenone
CAS No: 1314937-72-8 Catalog No: AG01FEN4 MDL No:
Product Description
Catalog Number:
AG01FEN4
Chemical Name:
3'-Fluoro-5'-methylbutyrophenone
CAS Number:
1314937-72-8
Molecular Formula:
C11H13FO
Molecular Weight:
180.2187
IUPAC Name:
1-(3-fluoro-5-methylphenyl)butan-1-one
InChI:
InChI=1S/C11H13FO/c1-3-4-11(13)9-5-8(2)6-10(12)7-9/h5-7H,3-4H2,1-2H3
InChI Key:
HCIJEIPFYNTEIE-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1cc(C)cc(c1)F
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.222g/mol
Monoisotopic Mass:
180.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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