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66490-83-3 | 2(3H)-Benzothiazolone,3-(2-propynyl)-(9CI)
CAS No: 66490-83-3 Catalog No: AG00FR0D MDL No:
Product Description
Catalog Number:
AG00FR0D
Chemical Name:
2(3H)-Benzothiazolone,3-(2-propynyl)-(9CI)
CAS Number:
66490-83-3
IUPAC Name:
3-prop-2-ynyl-1,3-benzothiazol-2-one
InChI:
InChI=1S/C10H7NOS/c1-2-7-11-8-5-3-4-6-9(8)13-10(11)12/h1,3-6H,7H2
InChI Key:
BQXFRBURJCDRLY-UHFFFAOYSA-N
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.232g/mol
Monoisotopic Mass:
189.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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