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2366-70-3 | 2-Butanone, 4,4,4-trifluoro-
CAS No: 2366-70-3 Catalog No: AG002O2Q MDL No:MFCD00077601
Product Description
Catalog Number:
AG002O2Q
Chemical Name:
2-Butanone, 4,4,4-trifluoro-
CAS Number:
2366-70-3
Molecular Formula:
C4H5F3O
Molecular Weight:
126.0771
MDL Number:
MFCD00077601
IUPAC Name:
4,4,4-trifluorobutan-2-one
InChI:
InChI=1S/C4H5F3O/c1-3(8)2-4(5,6)7/h2H2,1H3
InChI Key:
BTXXTMOWISPQSJ-UHFFFAOYSA-N
SMILES:
CC(=O)CC(F)(F)F
Properties
Complexity:
93.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.029g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.078g/mol
Monoisotopic Mass:
126.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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