Home Carboxys 6-[(trifluoromethyl)sulfanyl]pyridine-3-carboxylic acid

6-[(trifluoromethyl)sulfanyl]pyridine-3-carboxylic acid

CAS No.:
1248802-41-6
Catalog Number:
AG01B7GU
Molecular Formula:
C7H4F3NO2S
Molecular Weight:
223.1724
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Product Description
Catalog Number:
AG01B7GU
Chemical Name:
6-[(trifluoromethyl)sulfanyl]pyridine-3-carboxylic acid
CAS Number:
1248802-41-6
Molecular Formula:
C7H4F3NO2S
Molecular Weight:
223.1724
MDL Number:
MFCD14631911
IUPAC Name:
6-(trifluoromethylsulfanyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H4F3NO2S/c8-7(9,10)14-5-2-1-4(3-11-5)6(12)13/h1-3H,(H,12,13)
InChI Key:
ARPAZVQRHOXDES-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(nc1)SC(F)(F)F
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.991g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.169g/mol
Monoisotopic Mass:
222.991g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties