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115891-18-4 | 3-Pyridinecarboxylic acid, 2-(phenylaMino)-, ethyl ester
CAS No: 115891-18-4 Catalog No: AG000H2E MDL No:
Product Description
Catalog Number:
AG000H2E
Chemical Name:
3-Pyridinecarboxylic acid, 2-(phenylaMino)-, ethyl ester
CAS Number:
115891-18-4
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
IUPAC Name:
ethyl 2-anilinopyridine-3-carboxylate
InChI:
InChI=1S/C14H14N2O2/c1-2-18-14(17)12-9-6-10-15-13(12)16-11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,15,16)
InChI Key:
GEKGMJRAYIKWAR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccnc1Nc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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