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89542-56-3 | Benzothiazolium, 3-[(3-chlorophenyl)methyl]-6-methyl-, bromide
CAS No: 89542-56-3 Catalog No: AG0040HL MDL No:
Product Description
Catalog Number:
AG0040HL
Chemical Name:
Benzothiazolium, 3-[(3-chlorophenyl)methyl]-6-methyl-, bromide
CAS Number:
89542-56-3
Molecular Formula:
C15H13BrClNS
Molecular Weight:
354.6924
IUPAC Name:
3-[(3-chlorophenyl)methyl]-6-methyl-1,3-benzothiazol-3-ium;bromide
InChI:
InChI=1S/C15H13ClNS.BrH/c1-11-5-6-14-15(7-11)18-10-17(14)9-12-3-2-4-13(16)8-12;/h2-8,10H,9H2,1H3;1H/q+1;/p-1
InChI Key:
SQEWGSGAQWOLPS-UHFFFAOYSA-M
SMILES:
Cc1ccc2c(c1)sc[n+]2Cc1cccc(c1)Cl.[Br-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.964g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.69g/mol
Monoisotopic Mass:
352.964g/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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