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125736-37-0 | 9-Azabicyclo[4.2.1]nonane-2,9-dicarboxylic acid, 2-bromo-, 9-(1,1-dimethylethyl) 2-methyl ester, (1R,2R,6R)-rel-
CAS No: 125736-37-0 Catalog No: AG000OKO MDL No:
Product Description
Catalog Number:
AG000OKO
Chemical Name:
9-Azabicyclo[4.2.1]nonane-2,9-dicarboxylic acid, 2-bromo-, 9-(1,1-dimethylethyl) 2-methyl ester, (1R,2R,6R)-rel-
CAS Number:
125736-37-0
Molecular Formula:
C15H24BrNO4
Molecular Weight:
362.2594
IUPAC Name:
2-O-tert-butyl 9-O-methyl 2-bromo-9-azabicyclo[4.2.1]nonane-2,9-dicarboxylate
InChI:
InChI=1S/C15H24BrNO4/c1-14(2,3)21-12(18)15(16)9-5-6-10-7-8-11(15)17(10)13(19)20-4/h10-11H,5-9H2,1-4H3
InChI Key:
CNRGUSDAXNPMQY-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@]1(Br)CCC[C@H]2N([C@@H]1CC2)C(=O)OC(C)(C)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.264g/mol
Monoisotopic Mass:
361.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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