Name: Name:tert-butyl 5-(4-bromophenyl)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
Brand: Angene
SKU: AG01DW7P
Rating: 90 (10 reviews)

tert-butyl 5-(4-bromophenyl)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate

CAS No.:

2097819-97-9

Catalog Number:

AG01DW7P

Molecular Formula:

C17H23BrN2O2

Molecular Weight:

367.2807

Catalog Number:

AG01DW7P

Chemical Name:

tert-butyl 5-(4-bromophenyl)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate

CAS Number:

2097819-97-9

Molecular Formula:

C17H23BrN2O2

Molecular Weight:

367.2807

MDL Number:

MFCD31665379

IUPAC Name:

tert-butyl 5-(4-bromophenyl)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate

InChI:

InChI=1S/C17H23BrN2O2/c1-17(2,3)22-16(21)20-11-14-8-9-15(20)10-19(14)13-6-4-12(18)5-7-13/h4-7,14-15H,8-11H2,1-3H3

InChI Key:

LDRQAJXMYOUQBV-UHFFFAOYSA-N

SMILES:

Brc1ccc(cc1)N1CC2CCC1CN2C(=O)OC(C)(C)C

Complexity:

415

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

366.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

367.287g/mol

Monoisotopic Mass:

366.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: