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89835-90-5 | 3H-Phenothiazin-9-amine, 3-imino-, monoperchlorate
CAS No: 89835-90-5 Catalog No: AG003XP6 MDL No:
Product Description
Catalog Number:
AG003XP6
Chemical Name:
3H-Phenothiazin-9-amine, 3-imino-, monoperchlorate
CAS Number:
89835-90-5
Molecular Formula:
C12H10ClN3O4S
Molecular Weight:
327.7435
IUPAC Name:
9-iminophenothiazin-3-amine;perchloric acid
InChI:
InChI=1S/C12H9N3S.ClHO4/c13-7-4-5-9-11(6-7)16-10-3-1-2-8(14)12(10)15-9;2-1(3,4)5/h1-6,14H,13H2;(H,2,3,4,5)
InChI Key:
NYLFMAXOOMSCKF-UHFFFAOYSA-N
SMILES:
O[Cl](=O)(=O)=O.N=c1ccc2c(c1)sc1c(n2)c(N)ccc1
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.008g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
327.739g/mol
Monoisotopic Mass:
327.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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