Home Halogens tert-Butyl 4-(4-bromo-2-nitrophenylamino)piperidine-1-carboxylate

tert-Butyl 4-(4-bromo-2-nitrophenylamino)piperidine-1-carboxylate

CAS No.:
1383968-84-0
Catalog Number:
AG00HVA6
Molecular Formula:
C16H22BrN3O4
Molecular Weight:
400.2676
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$625
- +
Product Description
Catalog Number:
AG00HVA6
Chemical Name:
tert-Butyl 4-(4-bromo-2-nitrophenylamino)piperidine-1-carboxylate
CAS Number:
1383968-84-0
Molecular Formula:
C16H22BrN3O4
Molecular Weight:
400.2676
MDL Number:
MFCD14155807
IUPAC Name:
tert-butyl 4-(4-bromo-2-nitroanilino)piperidine-1-carboxylate
InChI:
InChI=1S/C16H22BrN3O4/c1-16(2,3)24-15(21)19-8-6-12(7-9-19)18-13-5-4-11(17)10-14(13)20(22)23/h4-5,10,12,18H,6-9H2,1-3H3
InChI Key:
RRLWAYVISDZNSJ-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)[N+](=O)[O-])NC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
455  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.079g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
400.273g/mol
Monoisotopic Mass:
399.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties