Home Carboxys 8-(trifluoromethyl)quinoline-3-carboxylic acid

8-(trifluoromethyl)quinoline-3-carboxylic acid

CAS No.:
31588-79-1
Catalog Number:
AG00CKNT
Molecular Formula:
C11H6F3NO2
Molecular Weight:
241.1660
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Product Description
Catalog Number:
AG00CKNT
Chemical Name:
8-(trifluoromethyl)quinoline-3-carboxylic acid
CAS Number:
31588-79-1
Molecular Formula:
C11H6F3NO2
Molecular Weight:
241.1660
MDL Number:
MFCD11557213
IUPAC Name:
8-(trifluoromethyl)quinoline-3-carboxylic acid
InChI:
InChI=1S/C11H6F3NO2/c12-11(13,14)8-3-1-2-6-4-7(10(16)17)5-15-9(6)8/h1-5H,(H,16,17)
InChI Key:
SFGJRDPCPWCNMJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1)cccc2C(F)(F)F
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.035g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.169g/mol
Monoisotopic Mass:
241.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties