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Home > Nitro Compounds > 71466-59-6
71466-59-6 | 4-Nitro-2-(tricyclo[3.3.1.13,7]decan-1-yl)benzonitrile
CAS No: 71466-59-6 Catalog No: AG00FUOO MDL No:
Product Description
Catalog Number:
AG00FUOO
Chemical Name:
4-Nitro-2-(tricyclo[3.3.1.13,7]decan-1-yl)benzonitrile
CAS Number:
71466-59-6
IUPAC Name:
2-(1-adamantyl)-4-nitrobenzonitrile
InChI:
InChI=1S/C17H18N2O2/c18-10-14-1-2-15(19(20)21)6-16(14)17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,6,11-13H,3-5,7-9H2
InChI Key:
JBDCTTSGTSCSQS-UHFFFAOYSA-N
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.137g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.343g/mol
Monoisotopic Mass:
282.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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