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88134-11-6 | Benzonitrile, 4-(6-hexyl-5,6,7,8-tetrahydro-2-naphthalenyl)-
CAS No: 88134-11-6 Catalog No: AG004DH3 MDL No:
Product Description
Catalog Number:
AG004DH3
Chemical Name:
Benzonitrile, 4-(6-hexyl-5,6,7,8-tetrahydro-2-naphthalenyl)-
CAS Number:
88134-11-6
Molecular Formula:
C23H27N
Molecular Weight:
317.4672
IUPAC Name:
4-(6-hexyl-5,6,7,8-tetrahydronaphthalen-2-yl)benzonitrile
InChI:
InChI=1S/C23H27N/c1-2-3-4-5-6-18-7-12-23-16-22(14-13-21(23)15-18)20-10-8-19(17-24)9-11-20/h8-11,13-14,16,18H,2-7,12,15H2,1H3
InChI Key:
WQNQWGMKKLWTBO-UHFFFAOYSA-N
SMILES:
CCCCCCC1CCc2c(C1)ccc(c2)c1ccc(cc1)C#N
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.214g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.476g/mol
Monoisotopic Mass:
317.214g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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