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Home > Nitro Compounds > 71466-66-5
71466-66-5 | 2-Nitro-4,6-bis(tricyclo[3.3.1.13,7]decan-1-yl)benzonitrile
CAS No: 71466-66-5 Catalog No: AG00FUOT MDL No:
Product Description
Catalog Number:
AG00FUOT
Chemical Name:
2-Nitro-4,6-bis(tricyclo[3.3.1.13,7]decan-1-yl)benzonitrile
CAS Number:
71466-66-5
IUPAC Name:
2,4-bis(1-adamantyl)-6-nitrobenzonitrile
InChI:
InChI=1S/C27H32N2O2/c28-15-23-24(27-12-19-4-20(13-27)6-21(5-19)14-27)7-22(8-25(23)29(30)31)26-9-16-1-17(10-26)3-18(2-16)11-26/h7-8,16-21H,1-6,9-14H2
InChI Key:
HAOWUGXAKLKRIN-UHFFFAOYSA-N
Properties
Complexity:
751
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.246g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.565g/mol
Monoisotopic Mass:
416.246g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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