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238407-03-9 | 3-Bromo-1,1,1-trifluoro-hexan-2-one
CAS No: 238407-03-9 Catalog No: AG01FDZT MDL No:MFCD08275464
Product Description
Catalog Number:
AG01FDZT
Chemical Name:
3-Bromo-1,1,1-trifluoro-hexan-2-one
CAS Number:
238407-03-9
Molecular Formula:
C6H8BrF3O
Molecular Weight:
233.0263
MDL Number:
MFCD08275464
IUPAC Name:
3-bromo-1,1,1-trifluorohexan-2-one
InChI:
InChI=1S/C6H8BrF3O/c1-2-3-4(7)5(11)6(8,9)10/h4H,2-3H2,1H3
InChI Key:
XTTILTJDSVPWAX-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)C(F)(F)F)Br
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.971g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.028g/mol
Monoisotopic Mass:
231.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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