Benzene,1-ethynyl-2-(trifluoromethoxy)-


Chemical Name: Benzene,1-ethynyl-2-(trifluoromethoxy)-
CAS Number: 886363-40-2
Product Number: AG00GSM8(AGN-PC-0VMVE8)
Synonyms:
MDL No:
Molecular Formula: C9H5F3O
Molecular Weight: 186.1306

Identification/Properties


Computed Properties
Molecular Weight:
186.133g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
186.029g/mol
Monoisotopic Mass:
186.029g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
213
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:
Warning
UN#:
N/A
Hazard Statements:
H227-H315-H319-H335
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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