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Home Other Building Blocks Methyl heptafluoroisobutyrate

Methyl heptafluoroisobutyrate

CAS No.:
680-05-7
Catalog Number:
AG00358W
Molecular Formula:
C5H3F7O2
Molecular Weight:
228.0649
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$88
- +
5g
95%
In Stock USA
United States
$300
- +
25g
95%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00358W
Chemical Name:
Methyl heptafluoroisobutyrate
CAS Number:
680-05-7
Molecular Formula:
C5H3F7O2
Molecular Weight:
228.0649
MDL Number:
MFCD00633403
IUPAC Name:
methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
InChI:
InChI=1S/C5H3F7O2/c1-14-2(13)3(6,4(7,8)9)5(10,11)12/h1H3
InChI Key:
CGMUKBZUGMXXEF-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(F)(F)F)(C(F)(F)F)F
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.002g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.066g/mol
Monoisotopic Mass:
228.002g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties