Home Sulfos 1-[(4-Methyl-3-nitrobenzene)sulfonyl]piperidine

1-[(4-Methyl-3-nitrobenzene)sulfonyl]piperidine

CAS No.:
91558-67-7
Catalog Number:
AG00IGRD
Molecular Formula:
C12H16N2O4S
Molecular Weight:
284.3314
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00IGRD
Chemical Name:
1-[(4-Methyl-3-nitrobenzene)sulfonyl]piperidine
CAS Number:
91558-67-7
Molecular Formula:
C12H16N2O4S
Molecular Weight:
284.3314
MDL Number:
MFCD00577549
IUPAC Name:
1-(4-methyl-3-nitrophenyl)sulfonylpiperidine
InChI:
InChI=1S/C12H16N2O4S/c1-10-5-6-11(9-12(10)14(15)16)19(17,18)13-7-3-2-4-8-13/h5-6,9H,2-4,7-8H2,1H3
InChI Key:
PCGFEOXSDDGDMG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)S(=O)(=O)N1CCCCC1
Properties
Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.083g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.33g/mol
Monoisotopic Mass:
284.083g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties