Home Sulfos Benzenesulfonic acid n-butyl ester

Benzenesulfonic acid n-butyl ester

CAS No.:
80-44-4
Catalog Number:
AG003OLM
Molecular Formula:
C10H14O3S
Molecular Weight:
214.2814
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$32
- +
25g
98%
In Stock USA
United States
$85
- +
Product Description
Catalog Number:
AG003OLM
Chemical Name:
Benzenesulfonic acid n-butyl ester
CAS Number:
80-44-4
Molecular Formula:
C10H14O3S
Molecular Weight:
214.2814
MDL Number:
MFCD00025036
IUPAC Name:
butyl benzenesulfonate
InChI:
InChI=1S/C10H14O3S/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChI Key:
NIKBCKTWWPVAIC-UHFFFAOYSA-N
SMILES:
CCCCOS(=O)(=O)c1ccccc1
NSC Number:
3215
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.066g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.279g/mol
Monoisotopic Mass:
214.066g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties