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132172-95-3 | 2-Pyrazinecarboxylic acid, [1,1'-biphenyl]-4-yl ester
CAS No: 132172-95-3 Catalog No: AG0010CN MDL No:
Product Description
Catalog Number:
AG0010CN
Chemical Name:
2-Pyrazinecarboxylic acid, [1,1'-biphenyl]-4-yl ester
CAS Number:
132172-95-3
Molecular Formula:
C17H12N2O2
Molecular Weight:
276.2894
IUPAC Name:
(4-phenylphenyl) pyrazine-2-carboxylate
InChI:
InChI=1S/C17H12N2O2/c20-17(16-12-18-10-11-19-16)21-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H
InChI Key:
DZGWFELKBYEJSF-UHFFFAOYSA-N
SMILES:
O=C(c1cnccn1)Oc1ccc(cc1)c1ccccc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.295g/mol
Monoisotopic Mass:
276.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Antimycobacterial activity of a series of pyrazinoic acid esters. | Journal of medicinal chemistry 19920403 |
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