Butanoic acid, 2,2,2-trifluoroethyl ester


Chemical Name: Butanoic acid, 2,2,2-trifluoroethyl ester
CAS Number: 371-27-7
Product Number: AG003F76(AGN-PC-0JNMC5)
Synonyms:
MDL No:
Molecular Formula: C6H9F3O2
Molecular Weight: 170.1296696

Identification/Properties


Properties
Form:
Liquid
Computed Properties
Molecular Weight:
170.131g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
170.055g/mol
Monoisotopic Mass:
170.055g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
130
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3272
Hazard Statements:
H225-H315-H319-H335
Precautionary Statements:
P210-P261-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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