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10270-32-3 | Benzonitrile, 4,4'-[1,6-bis(phenylmethyl)-1,6-hexanediyl]bis-
CAS No: 10270-32-3 Catalog No: AG000868 MDL No:
Product Description
Catalog Number:
AG000868
Chemical Name:
Benzonitrile, 4,4'-[1,6-bis(phenylmethyl)-1,6-hexanediyl]bis-
CAS Number:
10270-32-3
Molecular Formula:
C34H32N2
Molecular Weight:
468.6313
IUPAC Name:
4-[7-(4-cyanophenyl)-1,8-diphenyloctan-2-yl]benzonitrile
InChI:
InChI=1S/C34H32N2/c35-25-29-15-19-31(20-16-29)33(23-27-9-3-1-4-10-27)13-7-8-14-34(24-28-11-5-2-6-12-28)32-21-17-30(26-36)18-22-32/h1-6,9-12,15-22,33-34H,7-8,13-14,23-24H2
InChI Key:
BEVCLYRPEBHZDW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(Cc1ccccc1)CCCCC(c1ccc(cc1)C#N)Cc1ccccc1
NSC Number:
103104
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.257g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.644g/mol
Monoisotopic Mass:
468.257g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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