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Home > Fluorides > 1314913-92-2
1314913-92-2 | 3'-Fluoro-2'-methylbutyrophenone
CAS No: 1314913-92-2 Catalog No: AG01FEN1 MDL No:
Product Description
Catalog Number:
AG01FEN1
Chemical Name:
3'-Fluoro-2'-methylbutyrophenone
CAS Number:
1314913-92-2
Molecular Formula:
C11H13FO
Molecular Weight:
180.2187
IUPAC Name:
1-(3-fluoro-2-methylphenyl)butan-1-one
InChI:
InChI=1S/C11H13FO/c1-3-5-11(13)9-6-4-7-10(12)8(9)2/h4,6-7H,3,5H2,1-2H3
InChI Key:
XUBMPFHBHHDCSN-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1F)C(=O)CCC
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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