Home Other Building Blocks 4-Bromo-1,1,1-trifluoro-2-(trifluoromethyl)butane

4-Bromo-1,1,1-trifluoro-2-(trifluoromethyl)butane

CAS No.:
203303-02-0
Catalog Number:
AG00I3TR
Molecular Formula:
C5H5BrF6
Molecular Weight:
258.9876
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Product Description
Catalog Number:
AG00I3TR
Chemical Name:
4-Bromo-1,1,1-trifluoro-2-(trifluoromethyl)butane
CAS Number:
203303-02-0
Molecular Formula:
C5H5BrF6
Molecular Weight:
258.9876
MDL Number:
MFCD00236629
IUPAC Name:
4-bromo-1,1,1-trifluoro-2-(trifluoromethyl)butane
InChI:
InChI=1S/C5H5BrF6/c6-2-1-3(4(7,8)9)5(10,11)12/h3H,1-2H2
InChI Key:
YYQXPSJUSBJZJI-UHFFFAOYSA-N
SMILES:
BrCCC(C(F)(F)F)C(F)(F)F
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.948g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.989g/mol
Monoisotopic Mass:
257.948g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties