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845866-60-6 | 2,5-Diazabicyclo[2.2.1]heptane-2-carboxylicacid, 9H-fluoren-9-ylmethyl ester
CAS No: 845866-60-6 Catalog No: AG0052A8 MDL No:
Product Description
Catalog Number:
AG0052A8
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane-2-carboxylicacid, 9H-fluoren-9-ylmethyl ester
CAS Number:
845866-60-6
Molecular Formula:
C20H20N2O2
Molecular Weight:
320.3850
IUPAC Name:
9H-fluoren-9-ylmethyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
InChI:
InChI=1S/C20H20N2O2/c23-20(22-11-13-9-14(22)10-21-13)24-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19,21H,9-12H2/t13-,14-/m1/s1
InChI Key:
RLNZYGFONFGKGT-ZIAGYGMSSA-N
SMILES:
O=C(N1C[C@H]2C[C@@H]1CN2)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
320.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.392g/mol
Monoisotopic Mass:
320.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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