200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 97960-13-9
97960-13-9 | 1-METHYL-5-NITRO-2-(TRICYCLO(3.3.1.13,7)DECYLIDENEMETHYL)-1H-IMIDAZOLE
CAS No: 97960-13-9 Catalog No: AG006AK3 MDL No:
Product Description
Catalog Number:
AG006AK3
Chemical Name:
1-METHYL-5-NITRO-2-(TRICYCLO(3.3.1.13,7)DECYLIDENEMETHYL)-1H-IMIDAZOLE
CAS Number:
97960-13-9
Molecular Formula:
C15H19N3O2
Molecular Weight:
273.3303
IUPAC Name:
2-(2-adamantylidenemethyl)-1-methyl-5-nitroimidazole
InChI:
InChI=1S/C15H19N3O2/c1-17-14(16-8-15(17)18(19)20)7-13-11-3-9-2-10(5-11)6-12(13)4-9/h7-12H,2-6H2,1H3
InChI Key:
NWNJBTKLMZQJQA-UHFFFAOYSA-N
SMILES:
Cn1c(ncc1[N+](=O)[O-])C=C1C2CC3CC1CC(C2)C3
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.148g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.336g/mol
Monoisotopic Mass:
273.148g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.