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Home > Nitro Compounds > 85938-78-9
85938-78-9 | 1,5-Naphthyridin-4-ol, 3-nitro-
CAS No: 85938-78-9 Catalog No: AG004WL8 MDL No:MFCD13151915
Product Description
Catalog Number:
AG004WL8
Chemical Name:
1,5-Naphthyridin-4-ol, 3-nitro-
CAS Number:
85938-78-9
Molecular Formula:
C8H5N3O3
Molecular Weight:
191.1436
MDL Number:
MFCD13151915
IUPAC Name:
3-nitro-1H-1,5-naphthyridin-4-one
InChI:
InChI=1S/C8H5N3O3/c12-8-6(11(13)14)4-10-5-2-1-3-9-7(5)8/h1-4H,(H,10,12)
InChI Key:
BPZZDZZOBAZEPJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc2c(c1O)nccc2
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:
5
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:
0.9
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