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1219589-17-9 | Butanoic acid, 2,3,3-trifluoro-, ethyl ester
CAS No: 1219589-17-9 Catalog No: AG0016G6 MDL No:
Product Description
Catalog Number:
AG0016G6
Chemical Name:
Butanoic acid, 2,3,3-trifluoro-, ethyl ester
CAS Number:
1219589-17-9
Molecular Formula:
C6H9F3O2
Molecular Weight:
170.1297
IUPAC Name:
ethyl 2,3,3-trifluorobutanoate
InChI:
InChI=1S/C6H9F3O2/c1-3-11-5(10)4(7)6(2,8)9/h4H,3H2,1-2H3
InChI Key:
LQRLDUUHECJDES-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(F)(F)C)F
Properties
Complexity:
147
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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