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112518-99-7 | 8-Quinolinol, 5-(2-benzoxazolyl)-
CAS No: 112518-99-7 Catalog No: AG007AS6 MDL No:
Product Description
Catalog Number:
AG007AS6
Chemical Name:
8-Quinolinol, 5-(2-benzoxazolyl)-
CAS Number:
112518-99-7
Molecular Formula:
C16H10N2O2
Molecular Weight:
262.2628
IUPAC Name:
5-(1,3-benzoxazol-2-yl)quinolin-8-ol
InChI:
InChI=1S/C16H10N2O2/c19-13-8-7-11(10-4-3-9-17-15(10)13)16-18-12-5-1-2-6-14(12)20-16/h1-9,19H
InChI Key:
RHJSRHUUNSTVDJ-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1nccc2)c1nc2c(o1)cccc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.268g/mol
Monoisotopic Mass:
262.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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