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Home > Nitro Compounds > 2942-36-1
2942-36-1 | Cinnoline, 5-nitro-
CAS No: 2942-36-1 Catalog No: AG002YBQ MDL No:
Product Description
Catalog Number:
AG002YBQ
Chemical Name:
Cinnoline, 5-nitro-
CAS Number:
2942-36-1
Molecular Formula:
C8H5N3O2
Molecular Weight:
175.1442
IUPAC Name:
5-nitrocinnoline
InChI:
InChI=1S/C8H5N3O2/c12-11(13)8-3-1-2-7-6(8)4-5-9-10-7/h1-5H
InChI Key:
CPVUBWULXBRCAQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1ccnn2
NSC Number:
680493
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.147g/mol
Monoisotopic Mass:
175.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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