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863492-35-7 | Benzyl 2-aminoquinoline-6-carboxylate
CAS No: 863492-35-7 Catalog No: AG004QVO MDL No:
Product Description
Catalog Number:
AG004QVO
Chemical Name:
Benzyl 2-aminoquinoline-6-carboxylate
CAS Number:
863492-35-7
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
IUPAC Name:
benzyl 2-aminoquinoline-6-carboxylate
InChI:
InChI=1S/C17H14N2O2/c18-16-9-7-13-10-14(6-8-15(13)19-16)17(20)21-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,18,19)
InChI Key:
VOFYVHYVYNIJOK-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(n1)ccc(c2)C(=O)OCc1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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