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300396-42-3 | 1-(4-Nitrophenoxy)isoquinoline
CAS No: 300396-42-3 Catalog No: AG01EUQ8 MDL No:
Product Description
Catalog Number:
AG01EUQ8
Chemical Name:
1-(4-Nitrophenoxy)isoquinoline
CAS Number:
300396-42-3
Molecular Formula:
C15H10N2O3
Molecular Weight:
266.2515
IUPAC Name:
1-(4-nitrophenoxy)isoquinoline
InChI:
InChI=1S/C15H10N2O3/c18-17(19)12-5-7-13(8-6-12)20-15-14-4-2-1-3-11(14)9-10-16-15/h1-10H
InChI Key:
SKZYFVSZYJKRDS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Oc1nccc2c1cccc2
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.256g/mol
Monoisotopic Mass:
266.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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