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89542-71-2 | Benzothiazolium, 6-chloro-3-(phenylmethyl)-, bromide
CAS No: 89542-71-2 Catalog No: AG003YLS MDL No:
Product Description
Catalog Number:
AG003YLS
Chemical Name:
Benzothiazolium, 6-chloro-3-(phenylmethyl)-, bromide
CAS Number:
89542-71-2
Molecular Formula:
C14H11BrClNS
Molecular Weight:
340.6658
IUPAC Name:
3-benzyl-6-chloro-1,3-benzothiazol-3-ium;bromide
InChI:
InChI=1S/C14H11ClNS.BrH/c15-12-6-7-13-14(8-12)17-10-16(13)9-11-4-2-1-3-5-11;/h1-8,10H,9H2;1H/q+1;/p-1
InChI Key:
FSPUSHRKYMBRQQ-UHFFFAOYSA-M
SMILES:
Clc1ccc2c(c1)sc[n+]2Cc1ccccc1.[Br-]
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.948g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.663g/mol
Monoisotopic Mass:
338.948g/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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