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102096-25-3 | Propanoic acid, 2-Methyl-, 2,2,2-trifluoroethyl ester
CAS No: 102096-25-3 Catalog No: AG0006LF MDL No:
Product Description
Catalog Number:
AG0006LF
Chemical Name:
Propanoic acid, 2-Methyl-, 2,2,2-trifluoroethyl ester
CAS Number:
102096-25-3
Molecular Formula:
C6H9F3O2
Molecular Weight:
170.1297
IUPAC Name:
2,2,2-trifluoroethyl 2-methylpropanoate
InChI:
InChI=1S/C6H9F3O2/c1-4(2)5(10)11-3-6(7,8)9/h4H,3H2,1-2H3
InChI Key:
TUSNFDARIILYPY-UHFFFAOYSA-N
SMILES:
CC(C(=O)OCC(F)(F)F)C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.055g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.131g/mol
Monoisotopic Mass:
170.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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