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64227-79-8 | 3-butylbenzo[d]thiazol-3-iuM iodide
CAS No: 64227-79-8 Catalog No: AG00ECNY MDL No:
Product Description
Catalog Number:
AG00ECNY
Chemical Name:
3-butylbenzo[d]thiazol-3-iuM iodide
CAS Number:
64227-79-8
IUPAC Name:
3-butyl-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C11H14NS.HI/c1-2-3-8-12-9-13-11-7-5-4-6-10(11)12;/h4-7,9H,2-3,8H2,1H3;1H/q+1;/p-1
InChI Key:
KQJPKSWLICESEG-UHFFFAOYSA-M
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.204g/mol
Monoisotopic Mass:
318.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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