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706-67-2 | 2,3-Dimethyl-1,3-benzothiazol-3-ium perchlorate
CAS No: 706-67-2 Catalog No: AG01EX1L MDL No:
Product Description
Catalog Number:
AG01EX1L
Chemical Name:
2,3-Dimethyl-1,3-benzothiazol-3-ium perchlorate
CAS Number:
706-67-2
Molecular Formula:
C9H10ClNO4S
Molecular Weight:
263.6980
IUPAC Name:
2,3-dimethyl-1,3-benzothiazol-3-ium;perchlorate
InChI:
InChI=1S/C9H10NS.ClHO4/c1-7-10(2)8-5-3-4-6-9(8)11-7;2-1(3,4)5/h3-6H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
FLSYUUDKLRRXAO-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.C[n+]1c(C)sc2c1cccc2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.002g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.692g/mol
Monoisotopic Mass:
263.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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