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89542-76-7 | Benzothiazolium, 6-chloro-3-[(2-chlorophenyl)methyl]-, bromide
CAS No: 89542-76-7 Catalog No: AG003YLR MDL No:
Product Description
Catalog Number:
AG003YLR
Chemical Name:
Benzothiazolium, 6-chloro-3-[(2-chlorophenyl)methyl]-, bromide
CAS Number:
89542-76-7
Molecular Formula:
C14H10BrCl2NS
Molecular Weight:
375.1109
IUPAC Name:
6-chloro-3-[(2-chlorophenyl)methyl]-1,3-benzothiazol-3-ium;bromide
InChI:
InChI=1S/C14H10Cl2NS.BrH/c15-11-5-6-13-14(7-11)18-9-17(13)8-10-3-1-2-4-12(10)16;/h1-7,9H,8H2;1H/q+1;/p-1
InChI Key:
KUKOADSWVMNODX-UHFFFAOYSA-M
SMILES:
Clc1ccc2c(c1)sc[n+]2Cc1ccccc1Cl.[Br-]
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.909g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.105g/mol
Monoisotopic Mass:
372.909g/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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