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Home > Nitro Compounds > 71466-54-1
71466-54-1 | 3-Nitro-5-(tricyclo[3.3.1.13,7]decan-1-yl)benzonitrile
CAS No: 71466-54-1 Catalog No: AG00FUOL MDL No:
Product Description
Catalog Number:
AG00FUOL
Chemical Name:
3-Nitro-5-(tricyclo[3.3.1.13,7]decan-1-yl)benzonitrile
CAS Number:
71466-54-1
IUPAC Name:
3-(1-adamantyl)-5-nitrobenzonitrile
InChI:
InChI=1S/C17H18N2O2/c18-10-14-4-15(6-16(5-14)19(20)21)17-7-11-1-12(8-17)3-13(2-11)9-17/h4-6,11-13H,1-3,7-9H2
InChI Key:
ZEBIUCGYZJGHIB-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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