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675879-63-7 | Propanedinitrile, [[4-[2-(2-benzothiazolyl)ethenyl]phenyl]methylene]-
CAS No: 675879-63-7 Catalog No: AG006E27 MDL No:
Product Description
Catalog Number:
AG006E27
Chemical Name:
Propanedinitrile, [[4-[2-(2-benzothiazolyl)ethenyl]phenyl]methylene]-
CAS Number:
675879-63-7
Molecular Formula:
C19H11N3S
Molecular Weight:
313.3757
IUPAC Name:
2-[[4-[2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]methylidene]propanedinitrile
InChI:
InChI=1S/C19H11N3S/c20-12-16(13-21)11-15-7-5-14(6-8-15)9-10-19-22-17-3-1-2-4-18(17)23-19/h1-11H
InChI Key:
NKGBDWZYVUVLFP-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(cc1)C=Cc1nc2c(s1)cccc2)C#N
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.067g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.378g/mol
Monoisotopic Mass:
313.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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