Home Other Building Blocks 2-ethynyl-5-(trifluoromethoxy)pyridine

2-ethynyl-5-(trifluoromethoxy)pyridine

CAS No.:
1876428-02-2
Catalog Number:
AG01BR6G
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
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Product Description
Catalog Number:
AG01BR6G
Chemical Name:
2-ethynyl-5-(trifluoromethoxy)pyridine
CAS Number:
1876428-02-2
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
MDL Number:
MFCD26520756
IUPAC Name:
2-ethynyl-5-(trifluoromethoxy)pyridine
InChI:
InChI=1S/C8H4F3NO/c1-2-6-3-4-7(5-12-6)13-8(9,10)11/h1,3-5H
InChI Key:
VTUCMJIHSSICFC-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cn1)OC(F)(F)F
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.121g/mol
Monoisotopic Mass:
187.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties