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Home > Fluorides > 1247208-98-5
1247208-98-5 | 3',4',5'-Trifluorobutyrophenone
CAS No: 1247208-98-5 Catalog No: AG01FEUJ MDL No:
Product Description
Catalog Number:
AG01FEUJ
Chemical Name:
3',4',5'-Trifluorobutyrophenone
CAS Number:
1247208-98-5
Molecular Formula:
C10H9F3O
Molecular Weight:
202.1731
IUPAC Name:
1-(3,4,5-trifluorophenyl)butan-1-one
InChI:
InChI=1S/C10H9F3O/c1-2-3-9(14)6-4-7(11)10(13)8(12)5-6/h4-5H,2-3H2,1H3
InChI Key:
MGUUXESKIILMBU-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1cc(F)c(c(c1)F)F
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.176g/mol
Monoisotopic Mass:
202.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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