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13027-16-2 | Propanoic acid, 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)-, methyl ester
CAS No: 13027-16-2 Catalog No: AG000U7P MDL No:
Product Description
Catalog Number:
AG000U7P
Chemical Name:
Propanoic acid, 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)-, methyl ester
CAS Number:
13027-16-2
Molecular Formula:
C6H6F6O2
Molecular Weight:
224.1011
IUPAC Name:
methyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
InChI:
InChI=1S/C6H6F6O2/c1-4(3(13)14-2,5(7,8)9)6(10,11)12/h1-2H3
InChI Key:
NFNKCAWIZADNAE-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(F)(F)F)(C(F)(F)F)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.027g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.102g/mol
Monoisotopic Mass:
224.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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