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Home > Nitro Compounds > 89898-94-2
89898-94-2 | 7-nitrophthalazin-1(2H)-one
CAS No: 89898-94-2 Catalog No: AG003NGT MDL No:
Product Description
Catalog Number:
AG003NGT
Chemical Name:
7-nitrophthalazin-1(2H)-one
CAS Number:
89898-94-2
Molecular Formula:
C8H5N3O3
Molecular Weight:
191.1436
IUPAC Name:
7-nitro-2H-phthalazin-1-one
InChI:
InChI=1S/C8H5N3O3/c12-8-7-3-6(11(13)14)2-1-5(7)4-9-10-8/h1-4H,(H,10,12)
InChI Key:
OOKJRZYVWWMGFI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(=O)[nH]nc2
NSC Number:
126696
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:
0.6
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