200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1196046-85-1
1196046-85-1 | 2-Pyridinecarboxylic acid, 1-[(4-chlorophenyl)methyl]-1,6-dihydro-6-oxo-, methyl ester
CAS No: 1196046-85-1 Catalog No: AG000P8Z MDL No:
Product Description
Catalog Number:
AG000P8Z
Chemical Name:
2-Pyridinecarboxylic acid, 1-[(4-chlorophenyl)methyl]-1,6-dihydro-6-oxo-, methyl ester
CAS Number:
1196046-85-1
Molecular Formula:
C14H12ClNO3
Molecular Weight:
277.7030
IUPAC Name:
methyl 1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylate
InChI:
InChI=1S/C14H12ClNO3/c1-19-14(18)12-3-2-4-13(17)16(12)9-10-5-7-11(15)8-6-10/h2-8H,9H2,1H3
InChI Key:
VCLVQHPZRKAUIQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(=O)n1Cc1ccc(cc1)Cl
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.704g/mol
Monoisotopic Mass:
277.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.