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Home > Nitro Compounds > 71466-64-3
71466-64-3 | 2,6-Dinitro-4-(tricyclo[3.3.1.13,7]decan-1-yl)benzonitrile
CAS No: 71466-64-3 Catalog No: AG00FPPI MDL No:
Product Description
Catalog Number:
AG00FPPI
Chemical Name:
2,6-Dinitro-4-(tricyclo[3.3.1.13,7]decan-1-yl)benzonitrile
CAS Number:
71466-64-3
IUPAC Name:
4-(1-adamantyl)-2,6-dinitrobenzonitrile
InChI:
InChI=1S/C17H17N3O4/c18-9-14-15(19(21)22)4-13(5-16(14)20(23)24)17-6-10-1-11(7-17)3-12(2-10)8-17/h4-5,10-12H,1-3,6-8H2
InChI Key:
JTDHGTAMCCODKQ-UHFFFAOYSA-N
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.34g/mol
Monoisotopic Mass:
327.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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