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Home > Bromides > 1208077-84-2
1208077-84-2 | 4',4-Dibromo-3,3-difluorobutyrophenone
CAS No: 1208077-84-2 Catalog No: AG01FCKD MDL No:
Product Description
Catalog Number:
AG01FCKD
Chemical Name:
4',4-Dibromo-3,3-difluorobutyrophenone
CAS Number:
1208077-84-2
Molecular Formula:
C10H8Br2F2O
Molecular Weight:
341.9747
IUPAC Name:
4-bromo-1-(4-bromophenyl)-3,3-difluorobutan-1-one
InChI:
InChI=1S/C10H8Br2F2O/c11-6-10(13,14)5-9(15)7-1-3-8(12)4-2-7/h1-4H,5-6H2
InChI Key:
CLWQIDLOOCZPKU-UHFFFAOYSA-N
SMILES:
BrCC(CC(=O)c1ccc(cc1)Br)(F)F
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.889g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.978g/mol
Monoisotopic Mass:
339.891g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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