Home Carboxys 4-[(3-Trifluoromethyl)phenyl]-pyridine-2-carboxylic acid

4-[(3-Trifluoromethyl)phenyl]-pyridine-2-carboxylic acid

CAS No.:
1261637-33-5
Catalog Number:
AG00HJ1Q
Molecular Formula:
C13H8F3NO2
Molecular Weight:
267.2033
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Product Description
Catalog Number:
AG00HJ1Q
Chemical Name:
4-[(3-Trifluoromethyl)phenyl]-pyridine-2-carboxylic acid
CAS Number:
1261637-33-5
Molecular Formula:
C13H8F3NO2
Molecular Weight:
267.2033
MDL Number:
MFCD14666496
IUPAC Name:
4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
InChI:
InChI=1S/C13H8F3NO2/c14-13(15,16)10-3-1-2-8(6-10)9-4-5-17-11(7-9)12(18)19/h1-7H,(H,18,19)
InChI Key:
ZJAMIBNVECEDOF-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccc(c1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.051g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.207g/mol
Monoisotopic Mass:
267.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties