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108825-21-4 | 6-(benzyloxy)quinoline
CAS No: 108825-21-4 Catalog No: AG01AHI3 MDL No:MFCD18483342
Product Description
Catalog Number:
AG01AHI3
Chemical Name:
6-(benzyloxy)quinoline
CAS Number:
108825-21-4
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
MDL Number:
MFCD18483342
IUPAC Name:
6-phenylmethoxyquinoline
InChI:
InChI=1S/C16H13NO/c1-2-5-13(6-3-1)12-18-15-8-9-16-14(11-15)7-4-10-17-16/h1-11H,12H2
InChI Key:
LQNGSCMDXDEBEI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1ccc2c(c1)cccn2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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