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30459-51-9 | 2(3H)-Benzothiazolone, 6-chloro-3-ethyl-
CAS No: 30459-51-9 Catalog No: AG00306U MDL No:
Product Description
Catalog Number:
AG00306U
Chemical Name:
2(3H)-Benzothiazolone, 6-chloro-3-ethyl-
CAS Number:
30459-51-9
Molecular Formula:
C9H8ClNOS
Molecular Weight:
213.6839
IUPAC Name:
6-chloro-3-ethyl-1,3-benzothiazol-2-one
InChI:
InChI=1S/C9H8ClNOS/c1-2-11-7-4-3-6(10)5-8(7)13-9(11)12/h3-5H,2H2,1H3
InChI Key:
PZMDLAXMHHIXFA-UHFFFAOYSA-N
SMILES:
CCn1c(=O)sc2c1ccc(c2)Cl
NSC Number:
108216
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.002g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.679g/mol
Monoisotopic Mass:
213.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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