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1735-87-1 | Propanoyl fluoride, 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)-
CAS No: 1735-87-1 Catalog No: AG001YZQ MDL No:MFCD00236084
Product Description
Catalog Number:
AG001YZQ
Chemical Name:
Propanoyl fluoride, 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)-
CAS Number:
1735-87-1
Molecular Formula:
C5H3F7O
Molecular Weight:
212.0655
MDL Number:
MFCD00236084
IUPAC Name:
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl fluoride
InChI:
InChI=1S/C5H3F7O/c1-3(2(6)13,4(7,8)9)5(10,11)12/h1H3
InChI Key:
LKMMDSMLDJMRSU-UHFFFAOYSA-N
SMILES:
FC(=O)C(C(F)(F)F)(C(F)(F)F)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.007g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.067g/mol
Monoisotopic Mass:
212.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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