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Home > Nitro Compounds > 88502-95-8
88502-95-8 | 6-Azabicyclo[3.2.1]octane, 1,3,3-trimethyl-6-(4-nitrobenzoyl)-
CAS No: 88502-95-8 Catalog No: AG0049G4 MDL No:
Product Description
Catalog Number:
AG0049G4
Chemical Name:
6-Azabicyclo[3.2.1]octane, 1,3,3-trimethyl-6-(4-nitrobenzoyl)-
CAS Number:
88502-95-8
Molecular Formula:
C17H22N2O3
Molecular Weight:
302.3682
IUPAC Name:
(4-nitrophenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
InChI:
InChI=1S/C17H22N2O3/c1-16(2)8-14-9-17(3,10-16)11-18(14)15(20)12-4-6-13(7-5-12)19(21)22/h4-7,14H,8-11H2,1-3H3
InChI Key:
JCIJVASDCBGDOI-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(CC1CC(C2)(C)C)C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.374g/mol
Monoisotopic Mass:
302.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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