Home Carboxys Methyl 1-tosyl-1h-pyrrole-3-carboxylate

Methyl 1-tosyl-1h-pyrrole-3-carboxylate

CAS No.:
212071-00-6
Catalog Number:
AG00BIGQ
Molecular Formula:
C13H13NO4S
Molecular Weight:
279.3116
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$110
- +
5g
98%
In Stock USA
United States
$432
- +
Product Description
Catalog Number:
AG00BIGQ
Chemical Name:
Methyl 1-tosyl-1h-pyrrole-3-carboxylate
CAS Number:
212071-00-6
Molecular Formula:
C13H13NO4S
Molecular Weight:
279.3116
MDL Number:
MFCD09743411
IUPAC Name:
methyl 1-(4-methylphenyl)sulfonylpyrrole-3-carboxylate
InChI:
InChI=1S/C13H13NO4S/c1-10-3-5-12(6-4-10)19(16,17)14-8-7-11(9-14)13(15)18-2/h3-9H,1-2H3
InChI Key:
DFOVPGKRRVEJGG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccn(c1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.057g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.31g/mol
Monoisotopic Mass:
279.057g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties