Home Carboxys 2-[(1,1,1-trifluoropropan-2-yl)oxy]pyridine-3-carboxylic acid

2-[(1,1,1-trifluoropropan-2-yl)oxy]pyridine-3-carboxylic acid

CAS No.:
1502732-85-5
Catalog Number:
AG01BDCW
Molecular Formula:
C9H8F3NO3
Molecular Weight:
235.1599
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Product Description
Catalog Number:
AG01BDCW
Chemical Name:
2-[(1,1,1-trifluoropropan-2-yl)oxy]pyridine-3-carboxylic acid
CAS Number:
1502732-85-5
Molecular Formula:
C9H8F3NO3
Molecular Weight:
235.1599
MDL Number:
MFCD21737558
IUPAC Name:
2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H8F3NO3/c1-5(9(10,11)12)16-7-6(8(14)15)3-2-4-13-7/h2-5H,1H3,(H,14,15)
InChI Key:
KHLUBIQGNSAIDB-UHFFFAOYSA-N
SMILES:
CC(C(F)(F)F)Oc1ncccc1C(=O)O
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.162g/mol
Monoisotopic Mass:
235.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties