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Home > Bromides > 1208077-64-8
1208077-64-8 | 4-Bromo-3,3,4'-trifluorobutyrophenone
CAS No: 1208077-64-8 Catalog No: AG01FCYU MDL No:
Product Description
Catalog Number:
AG01FCYU
Chemical Name:
4-Bromo-3,3,4'-trifluorobutyrophenone
CAS Number:
1208077-64-8
Molecular Formula:
C10H8BrF3O
Molecular Weight:
281.0691
IUPAC Name:
4-bromo-3,3-difluoro-1-(4-fluorophenyl)butan-1-one
InChI:
InChI=1S/C10H8BrF3O/c11-6-10(13,14)5-9(15)7-1-3-8(12)4-2-7/h1-4H,5-6H2
InChI Key:
VFYFOCICSALGGT-UHFFFAOYSA-N
SMILES:
BrCC(CC(=O)c1ccc(cc1)F)(F)F
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.072g/mol
Monoisotopic Mass:
279.971g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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