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Home > Fluorides > 1226155-90-3
1226155-90-3 | 3',5'-Difluorobutyrophenone
CAS No: 1226155-90-3 Catalog No: AG01FFDE MDL No:
Product Description
Catalog Number:
AG01FFDE
Chemical Name:
3',5'-Difluorobutyrophenone
CAS Number:
1226155-90-3
Molecular Formula:
C10H10F2O
Molecular Weight:
184.1826
IUPAC Name:
1-(3,5-difluorophenyl)butan-1-one
InChI:
InChI=1S/C10H10F2O/c1-2-3-10(13)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3
InChI Key:
IQBMKGWVAYZBDJ-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1cc(F)cc(c1)F
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.07g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.186g/mol
Monoisotopic Mass:
184.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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