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89390-13-6 | 1,2-Benzisothiazol-3(2H)-one, 2-ethyl-, hydrochloride
CAS No: 89390-13-6 Catalog No: AG003WKF MDL No:
Product Description
Catalog Number:
AG003WKF
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-ethyl-, hydrochloride
CAS Number:
89390-13-6
Molecular Formula:
C9H10ClNOS
Molecular Weight:
215.6998
IUPAC Name:
2-ethyl-1,2-benzothiazol-3-one;hydrochloride
InChI:
InChI=1S/C9H9NOS.ClH/c1-2-10-9(11)7-5-3-4-6-8(7)12-10;/h3-6H,2H2,1H3;1H
InChI Key:
WCZOKFSOUOBEJK-UHFFFAOYSA-N
SMILES:
CCn1sc2c(c1=O)cccc2.Cl
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.695g/mol
Monoisotopic Mass:
215.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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