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67362-99-6 | 3-BENZOTHIAZOL-2-YL-BENZONITRILE
CAS No: 67362-99-6 Catalog No: AG005OSP MDL No:
Product Description
Catalog Number:
AG005OSP
Chemical Name:
3-BENZOTHIAZOL-2-YL-BENZONITRILE
CAS Number:
67362-99-6
Molecular Formula:
C14H8N2S
Molecular Weight:
236.2917
IUPAC Name:
3-(1,3-benzothiazol-2-yl)benzonitrile
InChI:
InChI=1S/C14H8N2S/c15-9-10-4-3-5-11(8-10)14-16-12-6-1-2-7-13(12)17-14/h1-8H
InChI Key:
TVVTWDUBURSZHJ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1nc2c(s1)cccc2
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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