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18931-61-8 | 1,3-Butanedione, 1-(4-bromophenyl)-4,4,4-trifluoro-
CAS No: 18931-61-8 Catalog No: AG002I9B MDL No:MFCD00510742
Product Description
Catalog Number:
AG002I9B
Chemical Name:
1,3-Butanedione, 1-(4-bromophenyl)-4,4,4-trifluoro-
CAS Number:
18931-61-8
Molecular Formula:
C10H6BrF3O2
Molecular Weight:
295.0526
MDL Number:
MFCD00510742
IUPAC Name:
1-(4-bromophenyl)-4,4,4-trifluorobutane-1,3-dione
InChI:
InChI=1S/C10H6BrF3O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-4H,5H2
InChI Key:
ITVIRNOCIDFYRZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)CC(=O)C(F)(F)F
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.95g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.055g/mol
Monoisotopic Mass:
293.95g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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