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89059-28-9 | Benzothiazolium, 4-methyl-3-(2-propenyl)-, bromide
CAS No: 89059-28-9 Catalog No: AG0041L9 MDL No:
Product Description
Catalog Number:
AG0041L9
Chemical Name:
Benzothiazolium, 4-methyl-3-(2-propenyl)-, bromide
CAS Number:
89059-28-9
Molecular Formula:
C11H12BrNS
Molecular Weight:
270.1887
IUPAC Name:
4-methyl-3-prop-2-enyl-1,3-benzothiazol-3-ium;bromide
InChI:
InChI=1S/C11H12NS.BrH/c1-3-7-12-8-13-10-6-4-5-9(2)11(10)12;/h3-6,8H,1,7H2,2H3;1H/q+1;/p-1
InChI Key:
VNYWQMBETFWDCK-UHFFFAOYSA-M
SMILES:
C=CC[n+]1csc2c1c(C)ccc2.[Br-]
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.987g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.188g/mol
Monoisotopic Mass:
268.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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