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Home > Nitro Compounds > 854891-67-1
854891-67-1 | 5-Nitro-4-phenoxycinnoline
CAS No: 854891-67-1 Catalog No: AG01ECE5 MDL No:
Product Description
Catalog Number:
AG01ECE5
Chemical Name:
5-Nitro-4-phenoxycinnoline
CAS Number:
854891-67-1
IUPAC Name:
5-nitro-4-phenoxycinnoline
InChI:
InChI=1S/C14H9N3O3/c18-17(19)12-8-4-7-11-14(12)13(9-15-16-11)20-10-5-2-1-3-6-10/h1-9H
InChI Key:
JIGIIQJIGJDXEC-UHFFFAOYSA-N
Properties
Complexity:
341
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:
2.5
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