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706-62-7 | Benzothiazolium, 3-methyl-, perchlorate
CAS No: 706-62-7 Catalog No: AG005SV0 MDL No:
Product Description
Catalog Number:
AG005SV0
Chemical Name:
Benzothiazolium, 3-methyl-, perchlorate
CAS Number:
706-62-7
Molecular Formula:
C8H8ClNO4S
Molecular Weight:
249.6714
IUPAC Name:
3-methyl-1,3-benzothiazol-3-ium;perchlorate
InChI:
InChI=1S/C8H8NS.ClHO4/c1-9-6-10-8-5-3-2-4-7(8)9;2-1(3,4)5/h2-6H,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
QSPJCZVWWOWNSD-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.C[n+]1csc2c1cccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.986g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.665g/mol
Monoisotopic Mass:
248.986g/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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