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83239-41-2 | 2H-1,3-Thiazin-2-imine, 4-phenyl-, monoperchlorate
CAS No: 83239-41-2 Catalog No: AG008ITD MDL No:
Product Description
Catalog Number:
AG008ITD
Chemical Name:
2H-1,3-Thiazin-2-imine, 4-phenyl-, monoperchlorate
CAS Number:
83239-41-2
Molecular Formula:
C10H9ClN2O4S
Molecular Weight:
288.7075
IUPAC Name:
perchloric acid;4-phenyl-1,3-thiazin-2-imine
InChI:
InChI=1S/C10H8N2S.ClHO4/c11-10-12-9(6-7-13-10)8-4-2-1-3-5-8;2-1(3,4)5/h1-7,11H;(H,2,3,4,5)
InChI Key:
KTOWKNUBOAEFDN-UHFFFAOYSA-N
SMILES:
O[Cl](=O)(=O)=O.N=c1sccc(n1)c1ccccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.997g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.702g/mol
Monoisotopic Mass:
287.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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