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107807-39-6 | 2,3-DIHYDRO-6-ISOTHIOCYANATO-1,4-PHTHALAZINEDIONE
CAS No: 107807-39-6 Catalog No: AG003FJ1 MDL No:MFCD00191641
Product Description
Catalog Number:
AG003FJ1
Chemical Name:
2,3-DIHYDRO-6-ISOTHIOCYANATO-1,4-PHTHALAZINEDIONE
CAS Number:
107807-39-6
MDL Number:
MFCD00191641
IUPAC Name:
6-isothiocyanato-2,3-dihydrophthalazine-1,4-dione
InChI:
InChI=1S/C9H5N3O2S/c13-8-6-2-1-5(10-4-15)3-7(6)9(14)12-11-8/h1-3H,(H,11,13)(H,12,14)
InChI Key:
VRQLFLNVVWYSTJ-UHFFFAOYSA-N
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.218g/mol
Monoisotopic Mass:
219.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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