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103754-68-3 | 5-Benzothiazoleacetonitrile,2-methyl-(6CI,9CI)
CAS No: 103754-68-3 Catalog No: AG009KHU MDL No:
Product Description
Catalog Number:
AG009KHU
Chemical Name:
5-Benzothiazoleacetonitrile,2-methyl-(6CI,9CI)
CAS Number:
103754-68-3
IUPAC Name:
2-(2-methyl-1,3-benzothiazol-5-yl)acetonitrile
InChI:
InChI=1S/C10H8N2S/c1-7-12-9-6-8(4-5-11)2-3-10(9)13-7/h2-3,6H,4H2,1H3
InChI Key:
YYQUWRYNQFKWFW-UHFFFAOYSA-N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.248g/mol
Monoisotopic Mass:
188.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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