Home Halogens tert-Butyl 4-(6-bromo-1,2-dihydro-2-oxobenzo[d]imidazol-3-yl)piperidine-1-carboxylate

tert-Butyl 4-(6-bromo-1,2-dihydro-2-oxobenzo[d]imidazol-3-yl)piperidine-1-carboxylate

CAS No.:
1951440-97-3
Catalog Number:
AG00I387
Molecular Formula:
C17H22BrN3O3
Molecular Weight:
396.2789
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$507
- +
1g
98%
In Stock USA
United States
$1275
- +
Product Description
Catalog Number:
AG00I387
Chemical Name:
tert-Butyl 4-(6-bromo-1,2-dihydro-2-oxobenzo[d]imidazol-3-yl)piperidine-1-carboxylate
CAS Number:
1951440-97-3
Molecular Formula:
C17H22BrN3O3
Molecular Weight:
396.2789
MDL Number:
MFCD16620831
IUPAC Name:
tert-butyl 4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C17H22BrN3O3/c1-17(2,3)24-16(23)20-8-6-12(7-9-20)21-14-5-4-11(18)10-13(14)19-15(21)22/h4-5,10,12H,6-9H2,1-3H3,(H,19,22)
InChI Key:
UQSBDLJHHQFQDY-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
500  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.084g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
396.285g/mol
Monoisotopic Mass:
395.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties