200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1261946-42-2
1261946-42-2 | 3-Pyridinecarboxylic acid, 5-(3-fluoro-4-methylphenyl)-
CAS No: 1261946-42-2 Catalog No: AG000S80 MDL No:MFCD18317023
Product Description
Catalog Number:
AG000S80
Chemical Name:
3-Pyridinecarboxylic acid, 5-(3-fluoro-4-methylphenyl)-
CAS Number:
1261946-42-2
Molecular Formula:
C13H10FNO2
Molecular Weight:
231.2224
MDL Number:
MFCD18317023
IUPAC Name:
5-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H10FNO2/c1-8-2-3-9(5-12(8)14)10-4-11(13(16)17)7-15-6-10/h2-7H,1H3,(H,16,17)
InChI Key:
QTFPKJSSHWDDNP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1)c1ccc(c(c1)F)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.226g/mol
Monoisotopic Mass:
231.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.