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Home Sulfos Toluene-4-sulfonic acid 1-cyano-cyclobutylmethyl ester

Toluene-4-sulfonic acid 1-cyano-cyclobutylmethyl ester

CAS No.:
1523618-15-6
Catalog Number:
AG00HY18
Molecular Formula:
C13H15NO3S
Molecular Weight:
265.3281
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$56
- +
250mg
95%
In Stock USA
United States
$101
- +
1g
95%
In Stock USA
United States
$202
- +
5g
95%
In Stock USA
United States
$605
- +
Product Description
Catalog Number:
AG00HY18
Chemical Name:
Toluene-4-sulfonic acid 1-cyano-cyclobutylmethyl ester
CAS Number:
1523618-15-6
Molecular Formula:
C13H15NO3S
Molecular Weight:
265.3281
MDL Number:
MFCD26130531
IUPAC Name:
(1-cyanocyclobutyl)methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C13H15NO3S/c1-11-3-5-12(6-4-11)18(15,16)17-10-13(9-14)7-2-8-13/h3-6H,2,7-8,10H2,1H3
InChI Key:
LORKGTUDFYNINB-UHFFFAOYSA-N
SMILES:
N#CC1(CCC1)COS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.077g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.327g/mol
Monoisotopic Mass:
265.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties