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87910-67-6 | Benzothiazolium, 6-chloro-3-methyl-, bromide
CAS No: 87910-67-6 Catalog No: AG004HKO MDL No:
Product Description
Catalog Number:
AG004HKO
Chemical Name:
Benzothiazolium, 6-chloro-3-methyl-, bromide
CAS Number:
87910-67-6
Molecular Formula:
C8H7BrClNS
Molecular Weight:
264.5699
IUPAC Name:
6-chloro-3-methyl-1,3-benzothiazol-3-ium;bromide
InChI:
InChI=1S/C8H7ClNS.BrH/c1-10-5-11-8-4-6(9)2-3-7(8)10;/h2-5H,1H3;1H/q+1;/p-1
InChI Key:
SMYIHMDMXRAOAP-UHFFFAOYSA-M
SMILES:
Clc1ccc2c(c1)sc[n+]2C.[Br-]
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.917g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.565g/mol
Monoisotopic Mass:
262.917g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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