Home Other Building Blocks 1-[3,5-BIS(TRIFLUOROMETHYL)BENZYL]-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLIC ACID

1-[3,5-BIS(TRIFLUOROMETHYL)BENZYL]-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLIC ACID

CAS No.:
71422-80-5
Catalog Number:
AG00FCLM
Molecular Formula:
C12H8ClF3N2O
Molecular Weight:
288.6529
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Product Description
Catalog Number:
AG00FCLM
Chemical Name:
1-[3,5-BIS(TRIFLUOROMETHYL)BENZYL]-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLIC ACID
CAS Number:
71422-80-5
Molecular Formula:
C12H8ClF3N2O
Molecular Weight:
288.6529
MDL Number:
MFCD00170933
IUPAC Name:
4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyaniline
InChI:
InChI=1S/C12H8ClF3N2O/c13-10-5-7(12(14,15)16)6-18-11(10)19-9-3-1-8(17)2-4-9/h1-6H,17H2
InChI Key:
NCHHJZDBVKYIDQ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.028g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
288.654g/mol
Monoisotopic Mass:
288.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties