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26321-06-2 | Benzoic acid, 4-[(3-pyridinylcarbonyl)amino]-, ethyl ester
CAS No: 26321-06-2 Catalog No: AG002SQ7 MDL No:
Product Description
Catalog Number:
AG002SQ7
Chemical Name:
Benzoic acid, 4-[(3-pyridinylcarbonyl)amino]-, ethyl ester
CAS Number:
26321-06-2
Molecular Formula:
C15H14N2O3
Molecular Weight:
270.2833
IUPAC Name:
ethyl 4-(pyridine-3-carbonylamino)benzoate
InChI:
InChI=1S/C15H14N2O3/c1-2-20-15(19)11-5-7-13(8-6-11)17-14(18)12-4-3-9-16-10-12/h3-10H,2H2,1H3,(H,17,18)
InChI Key:
IGNYCWGRAJGNKX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NC(=O)c1cccnc1
NSC Number:
131186
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.288g/mol
Monoisotopic Mass:
270.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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