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Home > Nitro Compounds > 1803583-47-2
1803583-47-2 | 4-(4-nitrophenoxy)cinnoline
CAS No: 1803583-47-2 Catalog No: AG01ACDS MDL No:MFCD26936014
Product Description
Catalog Number:
AG01ACDS
Chemical Name:
4-(4-nitrophenoxy)cinnoline
CAS Number:
1803583-47-2
Molecular Formula:
C14H9N3O3
Molecular Weight:
267.2396
MDL Number:
MFCD26936014
IUPAC Name:
4-(4-nitrophenoxy)cinnoline
InChI:
InChI=1S/C14H9N3O3/c18-17(19)10-5-7-11(8-6-10)20-14-9-15-16-13-4-2-1-3-12(13)14/h1-9H
InChI Key:
WBHSVIFCWSDPFK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Oc1cnnc2c1cccc2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.244g/mol
Monoisotopic Mass:
267.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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