Home Halogens t-Butyl 4-(2-bromo-4-nitrophenoxy)piperidine-1-carboxylate

t-Butyl 4-(2-bromo-4-nitrophenoxy)piperidine-1-carboxylate

CAS No.:
337520-16-8
Catalog Number:
AG003UJS
Molecular Formula:
C16H21BrN2O5
Molecular Weight:
401.2523
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003UJS
Chemical Name:
t-Butyl 4-(2-bromo-4-nitrophenoxy)piperidine-1-carboxylate
CAS Number:
337520-16-8
Molecular Formula:
C16H21BrN2O5
Molecular Weight:
401.2523
MDL Number:
MFCD11504894
IUPAC Name:
tert-butyl 4-(2-bromo-4-nitrophenoxy)piperidine-1-carboxylate
InChI:
InChI=1S/C16H21BrN2O5/c1-16(2,3)24-15(20)18-8-6-12(7-9-18)23-14-5-4-11(19(21)22)10-13(14)17/h4-5,10,12H,6-9H2,1-3H3
InChI Key:
XHXMEPDDTAZFPG-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Oc1ccc(cc1Br)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
454  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.063g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.257g/mol
Monoisotopic Mass:
400.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties