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103983-98-8 | 5-Benzothiazoleacrylonitrile,2-methyl-(6CI)
CAS No: 103983-98-8 Catalog No: AG009KGO MDL No:
Product Description
Catalog Number:
AG009KGO
Chemical Name:
5-Benzothiazoleacrylonitrile,2-methyl-(6CI)
CAS Number:
103983-98-8
IUPAC Name:
(E)-3-(2-methyl-1,3-benzothiazol-5-yl)prop-2-enenitrile
InChI:
InChI=1S/C11H8N2S/c1-8-13-10-7-9(3-2-6-12)4-5-11(10)14-8/h2-5,7H,1H3/b3-2+
InChI Key:
ZKFAPFSUFUQDHX-NSCUHMNNSA-N
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
200.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.259g/mol
Monoisotopic Mass:
200.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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