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Home > Fluorides > 885276-39-1
885276-39-1 | 4,4,4-TRIFLUOROBUTYL 4,4,4-TRIFLUOROBUTANOATE
CAS No: 885276-39-1 Catalog No: AG0045XJ MDL No:MFCD07784245
Product Description
Catalog Number:
AG0045XJ
Chemical Name:
4,4,4-TRIFLUOROBUTYL 4,4,4-TRIFLUOROBUTANOATE
CAS Number:
885276-39-1
Molecular Formula:
C8H10F6O2
Molecular Weight:
252.1542
MDL Number:
MFCD07784245
IUPAC Name:
4,4,4-trifluorobutyl 4,4,4-trifluorobutanoate
InChI:
InChI=1S/C8H10F6O2/c9-7(10,11)3-1-5-16-6(15)2-4-8(12,13)14/h1-5H2
InChI Key:
OOKAMCOYHHGELK-UHFFFAOYSA-N
SMILES:
O=C(CCC(F)(F)F)OCCCC(F)(F)F
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.156g/mol
Monoisotopic Mass:
252.058g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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