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823227-24-3 | Benzonitrile, 2-[6-(2,4,6-trichlorophenyl)-3-hexene-1,5-diynyl]-
CAS No: 823227-24-3 Catalog No: AG00548I MDL No:
Product Description
Catalog Number:
AG00548I
Chemical Name:
Benzonitrile, 2-[6-(2,4,6-trichlorophenyl)-3-hexene-1,5-diynyl]-
CAS Number:
823227-24-3
Molecular Formula:
C19H8Cl3N
Molecular Weight:
356.6325
IUPAC Name:
2-[6-(2,4,6-trichlorophenyl)hex-3-en-1,5-diynyl]benzonitrile
InChI:
InChI=1S/C19H8Cl3N/c20-16-11-18(21)17(19(22)12-16)10-4-2-1-3-7-14-8-5-6-9-15(14)13-23/h1-2,5-6,8-9,11-12H
InChI Key:
NLENJWLUUCJINQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C#CC=CC#Cc1c(Cl)cc(cc1Cl)Cl
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.972g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.63g/mol
Monoisotopic Mass:
354.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.6
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