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36078-60-1 | 2-Benzothiazol-2-yl-benzonitrile
CAS No: 36078-60-1 Catalog No: AG00CIWG MDL No:
Product Description
Catalog Number:
AG00CIWG
Chemical Name:
2-Benzothiazol-2-yl-benzonitrile
CAS Number:
36078-60-1
IUPAC Name:
2-(1,3-benzothiazol-2-yl)benzonitrile
InChI:
InChI=1S/C14H8N2S/c15-9-10-5-1-2-6-11(10)14-16-12-7-3-4-8-13(12)17-14/h1-8H
InChI Key:
MESGPNCEJPYOFI-UHFFFAOYSA-N
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.041g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.292g/mol
Monoisotopic Mass:
236.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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