Home Sulfos 1-(3-Bromo-5-trifluoromethylphenylsulfonyl)piperidine

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

CAS No.:
951884-69-8
Catalog Number:
AG003CRZ
Molecular Formula:
C12H13BrF3NO2S
Molecular Weight:
372.2013
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003CRZ
Chemical Name:
1-(3-Bromo-5-trifluoromethylphenylsulfonyl)piperidine
CAS Number:
951884-69-8
Molecular Formula:
C12H13BrF3NO2S
Molecular Weight:
372.2013
MDL Number:
MFCD09801013
IUPAC Name:
1-[3-bromo-5-(trifluoromethyl)phenyl]sulfonylpiperidine
InChI:
InChI=1S/C12H13BrF3NO2S/c13-10-6-9(12(14,15)16)7-11(8-10)20(18,19)17-4-2-1-3-5-17/h6-8H,1-5H2
InChI Key:
SCFQDFCQNPMZHX-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)C(F)(F)F)S(=O)(=O)N1CCCCC1
Properties
Complexity:
429  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.98g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.2g/mol
Monoisotopic Mass:
370.98g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties