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89542-93-8 | Benzothiazolium, 3-[(2-chlorophenyl)methyl]-4-methyl-, bromide
CAS No: 89542-93-8 Catalog No: AG0040HC MDL No:
Product Description
Catalog Number:
AG0040HC
Chemical Name:
Benzothiazolium, 3-[(2-chlorophenyl)methyl]-4-methyl-, bromide
CAS Number:
89542-93-8
Molecular Formula:
C15H13BrClNS
Molecular Weight:
354.6924
IUPAC Name:
3-[(2-chlorophenyl)methyl]-4-methyl-1,3-benzothiazol-3-ium;bromide
InChI:
InChI=1S/C15H13ClNS.BrH/c1-11-5-4-8-14-15(11)17(10-18-14)9-12-6-2-3-7-13(12)16;/h2-8,10H,9H2,1H3;1H/q+1;/p-1
InChI Key:
ZLYZLUUCVFRVQC-UHFFFAOYSA-M
SMILES:
Clc1ccccc1C[n+]1csc2c1c(C)ccc2.[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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