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823801-98-5 | 2H-1,4-Benzothiazinium, 3,4-dimethyl-, perchlorate
CAS No: 823801-98-5 Catalog No: AG008KB9 MDL No:
Product Description
Catalog Number:
AG008KB9
Chemical Name:
2H-1,4-Benzothiazinium, 3,4-dimethyl-, perchlorate
CAS Number:
823801-98-5
Molecular Formula:
C10H12ClNO4S
Molecular Weight:
277.7246
IUPAC Name:
3,4-dimethyl-2H-1,4-benzothiazin-4-ium;perchlorate
InChI:
InChI=1S/C10H12NS.ClHO4/c1-8-7-12-10-6-4-3-5-9(10)11(8)2;2-1(3,4)5/h3-6H,7H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
KNUZUOMMYSBNEB-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.C[N+]1=C(C)CSc2c1cccc2
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.018g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.719g/mol
Monoisotopic Mass:
277.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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