Home Halogens 1-chloro-4,4,4-trifluorobutan-2-one

1-chloro-4,4,4-trifluorobutan-2-one

CAS No.:
55932-04-2
Catalog Number:
AG01AL3M
Molecular Formula:
C4H4ClF3O
Molecular Weight:
160.5222
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Product Description
Catalog Number:
AG01AL3M
Chemical Name:
1-chloro-4,4,4-trifluorobutan-2-one
CAS Number:
55932-04-2
Molecular Formula:
C4H4ClF3O
Molecular Weight:
160.5222
MDL Number:
MFCD16616451
IUPAC Name:
1-chloro-4,4,4-trifluorobutan-2-one
InChI:
InChI=1S/C4H4ClF3O/c5-2-3(9)1-4(6,7)8/h1-2H2
InChI Key:
FEJLGVYDLXQEEV-UHFFFAOYSA-N
SMILES:
ClCC(=O)CC(F)(F)F
Properties
Complexity:
109  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.99g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.52g/mol
Monoisotopic Mass:
159.99g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties