Home Nitros 4,4,4-trifluoro-1-(4-nitrophenyl)-1,3-butanedione

4,4,4-trifluoro-1-(4-nitrophenyl)-1,3-butanedione

CAS No.:
425391-02-2
Catalog Number:
AG01DWFF
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01DWFF
Chemical Name:
4,4,4-trifluoro-1-(4-nitrophenyl)-1,3-butanedione
CAS Number:
425391-02-2
MDL Number:
MFCD00440667
IUPAC Name:
1,1,1-trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one
InChI:
InChI=1S/C10H6F3NO4/c11-10(12,13)9(16)5-8(15)6-1-3-7(4-2-6)14(17)18/h1-5,15H
InChI Key:
HMGLDQCVKKKFMH-UHFFFAOYSA-N
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.025g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.156g/mol
Monoisotopic Mass:
261.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3  
Properties