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Home > Nitro Compounds > 89898-93-1
89898-93-1 | 5-Nitrophthalazin-1(2H)-one
CAS No: 89898-93-1 Catalog No: AG01ECKY MDL No:
Product Description
Catalog Number:
AG01ECKY
Chemical Name:
5-Nitrophthalazin-1(2H)-one
CAS Number:
89898-93-1
IUPAC Name:
5-nitro-2H-phthalazin-1-one
InChI:
InChI=1S/C8H5N3O3/c12-8-5-2-1-3-7(11(13)14)6(5)4-9-10-8/h1-4H,(H,10,12)
InChI Key:
ZDRVCGZEWGFKSV-UHFFFAOYSA-N
Properties
Complexity:
297
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:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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