Pyridine, 2-ethynyl-5-(trifluoromethyl)-


Chemical Name: Pyridine, 2-ethynyl-5-(trifluoromethyl)-
CAS Number: 379670-42-5
Product Number: AG00C9LZ(AGN-PC-0JBZGO)
Synonyms:
MDL No:
Molecular Formula: C8H4F3N
Molecular Weight: 171.1193

Identification/Properties


Computed Properties
Molecular Weight:
171.122g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
171.03g/mol
Monoisotopic Mass:
171.03g/mol
Topological Polar Surface Area:
12.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
200
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#:
2811
Hazard Statements:
H301
Precautionary Statements:
P264-P270-P301+P310+P330-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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