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7765-82-4 | 1,2-Benzisothiazolium,3-chloro-2-ethyl-, chloride (1:1)
CAS No: 7765-82-4 Catalog No: AG005GLJ MDL No:
Product Description
Catalog Number:
AG005GLJ
Chemical Name:
1,2-Benzisothiazolium,3-chloro-2-ethyl-, chloride (1:1)
CAS Number:
7765-82-4
Molecular Formula:
C9H9Cl2NS
Molecular Weight:
234.1455
IUPAC Name:
3-chloro-2-ethyl-1,2-benzothiazol-2-ium;chloride
InChI:
InChI=1S/C9H9ClNS.ClH/c1-2-11-9(10)7-5-3-4-6-8(7)12-11;/h3-6H,2H2,1H3;1H/q+1;/p-1
InChI Key:
FDHPAUZRMMITIA-UHFFFAOYSA-M
SMILES:
CC[n+]1sc2c(c1Cl)cccc2.[Cl-]
EC Number:
231-859-1
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.983g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.138g/mol
Monoisotopic Mass:
232.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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