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128691-25-8 | Hexanoic acid, 6-bromo-, 2,2,2-trifluoroethyl ester
CAS No: 128691-25-8 Catalog No: AG000YB4 MDL No:
Product Description
Catalog Number:
AG000YB4
Chemical Name:
Hexanoic acid, 6-bromo-, 2,2,2-trifluoroethyl ester
CAS Number:
128691-25-8
Molecular Formula:
C8H12BrF3O2
Molecular Weight:
277.0789
IUPAC Name:
2,2,2-trifluoroethyl 6-bromohexanoate
InChI:
InChI=1S/C8H12BrF3O2/c9-5-3-1-2-4-7(13)14-6-8(10,11)12/h1-6H2
InChI Key:
GPPUERLEBVJQDE-UHFFFAOYSA-N
SMILES:
BrCCCCCC(=O)OCC(F)(F)F
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.081g/mol
Monoisotopic Mass:
275.997g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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