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89059-20-1 | Benzothiazolium, 6-chloro-3-methyl-, iodide
CAS No: 89059-20-1 Catalog No: AG00412T MDL No:
Product Description
Catalog Number:
AG00412T
Chemical Name:
Benzothiazolium, 6-chloro-3-methyl-, iodide
CAS Number:
89059-20-1
Molecular Formula:
C8H7ClINS
Molecular Weight:
311.5704
IUPAC Name:
6-chloro-3-methyl-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C8H7ClNS.HI/c1-10-5-11-8-4-6(9)2-3-7(8)10;/h2-5H,1H3;1H/q+1;/p-1
InChI Key:
PMKYJGKSJUBMOD-UHFFFAOYSA-M
SMILES:
Clc1ccc2c(c1)sc[n+]2C.[I-]
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.903g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.565g/mol
Monoisotopic Mass:
310.903g/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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