200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 1208081-99-5
1208081-99-5 | 4-(3-Cyano-pyridin-2-yl)-benzoic acid ethyl ester
CAS No: 1208081-99-5 Catalog No: AG01F971 MDL No:
Product Description
Catalog Number:
AG01F971
Chemical Name:
4-(3-Cyano-pyridin-2-yl)-benzoic acid ethyl ester
CAS Number:
1208081-99-5
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
ethyl 4-(3-cyanopyridin-2-yl)benzoate
InChI:
InChI=1S/C15H12N2O2/c1-2-19-15(18)12-7-5-11(6-8-12)14-13(10-16)4-3-9-17-14/h3-9H,2H2,1H3
InChI Key:
SEVLKWHXNIQVSH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)c1ncccc1C#N
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63A^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.