Home Other Building Blocks 3-[5-(trifluoromethoxy)pyridin-2-yl]prop-2-yn-1-ol

3-[5-(trifluoromethoxy)pyridin-2-yl]prop-2-yn-1-ol

CAS No.:
1873171-84-6
Catalog Number:
AG01BTLX
Molecular Formula:
C9H6F3NO2
Molecular Weight:
217.1446
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Product Description
Catalog Number:
AG01BTLX
Chemical Name:
3-[5-(trifluoromethoxy)pyridin-2-yl]prop-2-yn-1-ol
CAS Number:
1873171-84-6
Molecular Formula:
C9H6F3NO2
Molecular Weight:
217.1446
MDL Number:
MFCD30750004
IUPAC Name:
3-[5-(trifluoromethoxy)pyridin-2-yl]prop-2-yn-1-ol
InChI:
InChI=1S/C9H6F3NO2/c10-9(11,12)15-8-4-3-7(13-6-8)2-1-5-14/h3-4,6,14H,5H2
InChI Key:
IIFQJQMIEBDPIH-UHFFFAOYSA-N
SMILES:
OCC#Cc1ccc(cn1)OC(F)(F)F
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.147g/mol
Monoisotopic Mass:
217.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties