Name: Name:tert-Butyl 3-(4-bromo-1h-pyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
Brand: Angene
SKU: AG00HGQ1
Rating: 90 (10 reviews)

tert-Butyl 3-(4-bromo-1h-pyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate

CAS No.:

1224194-51-7

Catalog Number:

AG00HGQ1

Molecular Formula:

C15H22BrN3O2

Molecular Weight:

356.2581

Catalog Number:

AG00HGQ1

Chemical Name:

tert-Butyl 3-(4-bromo-1h-pyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate

CAS Number:

1224194-51-7

Molecular Formula:

C15H22BrN3O2

Molecular Weight:

356.2581

MDL Number:

MFCD28401108

IUPAC Name:

tert-butyl 3-(4-bromopyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate

InChI:

InChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)19-11-4-5-12(19)7-13(6-11)18-9-10(16)8-17-18/h8-9,11-13H,4-7H2,1-3H3

InChI Key:

DYFRMWZTVXTFPY-UHFFFAOYSA-N

SMILES:

O=C(N1C2CCC1CC(C2)n1ncc(c1)Br)OC(C)(C)C

Complexity:

398

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

355.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

356.264g/mol

Monoisotopic Mass:

355.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9