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10270-30-1 | Benzonitrile, 2,2'-(1,6-hexanediyl)bis-
CAS No: 10270-30-1 Catalog No: AG000869 MDL No:
Product Description
Catalog Number:
AG000869
Chemical Name:
Benzonitrile, 2,2'-(1,6-hexanediyl)bis-
CAS Number:
10270-30-1
Molecular Formula:
C20H20N2
Molecular Weight:
288.3862
IUPAC Name:
2-[6-(2-cyanophenyl)hexyl]benzonitrile
InChI:
InChI=1S/C20H20N2/c21-15-19-13-7-5-11-17(19)9-3-1-2-4-10-18-12-6-8-14-20(18)16-22/h5-8,11-14H,1-4,9-10H2
InChI Key:
ZPKGSYPNSUXCHT-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CCCCCCc1ccccc1C#N
NSC Number:
100702
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.394g/mol
Monoisotopic Mass:
288.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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