Home Halogens 5-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid

5-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid

CAS No.:
749875-05-6
Catalog Number:
AG01B5JK
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
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Product Description
Catalog Number:
AG01B5JK
Chemical Name:
5-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid
CAS Number:
749875-05-6
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
MDL Number:
MFCD16658110
IUPAC Name:
5-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H3ClF3NO2/c8-4-1-3(6(13)14)2-12-5(4)7(9,10)11/h1-2H,(H,13,14)
InChI Key:
MWGOLCJXZMSNSL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(c(c1)Cl)C(F)(F)F
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.98g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.551g/mol
Monoisotopic Mass:
224.98g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties