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189307-20-8 | 1,3-Butanedione, 2-bromo-4,4,4-trifluoro-1-phenyl-
CAS No: 189307-20-8 Catalog No: AG002I8A MDL No:
Product Description
Catalog Number:
AG002I8A
Chemical Name:
1,3-Butanedione, 2-bromo-4,4,4-trifluoro-1-phenyl-
CAS Number:
189307-20-8
Molecular Formula:
C10H6BrF3O2
Molecular Weight:
295.0526
IUPAC Name:
2-bromo-4,4,4-trifluoro-1-phenylbutane-1,3-dione
InChI:
InChI=1S/C10H6BrF3O2/c11-7(9(16)10(12,13)14)8(15)6-4-2-1-3-5-6/h1-5,7H
InChI Key:
VPWYERMAQBBEET-UHFFFAOYSA-N
SMILES:
BrC(C(=O)c1ccccc1)C(=O)C(F)(F)F
Properties
Complexity:
282
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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