Home Nitros 1-(3-Bromo-5-nitrobenzoyl)piperidine

1-(3-Bromo-5-nitrobenzoyl)piperidine

CAS No.:
941294-21-9
Catalog Number:
AG00GTDV
Molecular Formula:
C12H13BrN2O3
Molecular Weight:
313.1472
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00GTDV
Chemical Name:
1-(3-Bromo-5-nitrobenzoyl)piperidine
CAS Number:
941294-21-9
Molecular Formula:
C12H13BrN2O3
Molecular Weight:
313.1472
MDL Number:
MFCD09475858
IUPAC Name:
(3-bromo-5-nitrophenyl)-piperidin-1-ylmethanone
InChI:
InChI=1S/C12H13BrN2O3/c13-10-6-9(7-11(8-10)15(17)18)12(16)14-4-2-1-3-5-14/h6-8H,1-5H2
InChI Key:
KMSPUVJLWOBQCG-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCCCC1
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.011g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.151g/mol
Monoisotopic Mass:
312.011g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties