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113443-78-0 | 5-Phthalazinediazonium, 1,2,3,4-tetrahydro-1,4-dioxo-, chloride (1:1)
CAS No: 113443-78-0 Catalog No: AG0008L2 MDL No:
Product Description
Catalog Number:
AG0008L2
Chemical Name:
5-Phthalazinediazonium, 1,2,3,4-tetrahydro-1,4-dioxo-, chloride (1:1)
CAS Number:
113443-78-0
Molecular Formula:
C8H5ClN4O2
Molecular Weight:
224.6039
IUPAC Name:
1,4-dioxo-2,3-dihydrophthalazine-5-diazonium;chloride
InChI:
InChI=1S/C8H4N4O2.ClH/c9-10-5-3-1-2-4-6(5)8(14)12-11-7(4)13;/h1-3,9H;1H
InChI Key:
ZHLHAUBMNNDMNM-UHFFFAOYSA-N
SMILES:
N#[N+]c1cccc2c1c(=O)[nH][nH]c2=O.[Cl-]
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.604g/mol
Monoisotopic Mass:
224.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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