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89804-43-3 | 3H-Phenothiazin-3-imine, monoperchlorate
CAS No: 89804-43-3 Catalog No: AG003ZI7 MDL No:
Product Description
Catalog Number:
AG003ZI7
Chemical Name:
3H-Phenothiazin-3-imine, monoperchlorate
CAS Number:
89804-43-3
Molecular Formula:
C12H9ClN2O4S
Molecular Weight:
312.7289
IUPAC Name:
perchloric acid;phenothiazin-3-imine
InChI:
InChI=1S/C12H8N2S.ClHO4/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10;2-1(3,4)5/h1-7,13H;(H,2,3,4,5)
InChI Key:
XFLGIALRNKZFLF-UHFFFAOYSA-N
SMILES:
O[Cl](=O)(=O)=O.N=c1ccc2c(c1)sc1c(n2)cccc1
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.997g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.724g/mol
Monoisotopic Mass:
311.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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