Home Sulfos Methyl 4-[(pyrrolidine-1-sulfonyl)methyl]benzoate

Methyl 4-[(pyrrolidine-1-sulfonyl)methyl]benzoate

CAS No.:
1119407-35-0
Catalog Number:
AG01EH9T
Molecular Formula:
C13H17NO4S
Molecular Weight:
283.3434
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$250
- +
5g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG01EH9T
Chemical Name:
Methyl 4-[(pyrrolidine-1-sulfonyl)methyl]benzoate
CAS Number:
1119407-35-0
Molecular Formula:
C13H17NO4S
Molecular Weight:
283.3434
MDL Number:
MFCD13960330
IUPAC Name:
methyl 4-(pyrrolidin-1-ylsulfonylmethyl)benzoate
InChI:
InChI=1S/C13H17NO4S/c1-18-13(15)12-6-4-11(5-7-12)10-19(16,17)14-8-2-3-9-14/h4-7H,2-3,8-10H2,1H3
InChI Key:
MCJNVETYYAJFEL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)CS(=O)(=O)N1CCCC1
Properties
Complexity:
401  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.088g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.342g/mol
Monoisotopic Mass:
283.088g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties