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215584-44-4 | 2-Bromo-1,1,1-trifluoro-octane
CAS No: 215584-44-4 Catalog No: AG01EUIV MDL No:MFCD20233204
Product Description
Catalog Number:
AG01EUIV
Chemical Name:
2-Bromo-1,1,1-trifluoro-octane
CAS Number:
215584-44-4
Molecular Formula:
C8H14BrF3
Molecular Weight:
247.0960
MDL Number:
MFCD20233204
IUPAC Name:
2-bromo-1,1,1-trifluorooctane
InChI:
InChI=1S/C8H14BrF3/c1-2-3-4-5-6-7(9)8(10,11)12/h7H,2-6H2,1H3
InChI Key:
ODBBTJGGSNDWQT-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(F)(F)F)Br
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.099g/mol
Monoisotopic Mass:
246.023g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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