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Home > Nitro Compounds > 87992-32-3
87992-32-3 | 1,6-Naphthyridin-2(1H)-one, 3-nitro-
CAS No: 87992-32-3 Catalog No: AG004O9U MDL No:
Product Description
Catalog Number:
AG004O9U
Chemical Name:
1,6-Naphthyridin-2(1H)-one, 3-nitro-
CAS Number:
87992-32-3
Molecular Formula:
C8H5N3O3
Molecular Weight:
191.1436
IUPAC Name:
3-nitro-1H-1,6-naphthyridin-2-one
InChI:
InChI=1S/C8H5N3O3/c12-8-7(11(13)14)3-5-4-9-2-1-6(5)10-8/h1-4H,(H,10,12)
InChI Key:
BXFGOZYDNYHYJL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2cnccc2[nH]c1=O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.146g/mol
Monoisotopic Mass:
191.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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