Home Sulfos ethyl5-(chlorosulfonyl)-1H-pyrazole-3-carboxylate

ethyl5-(chlorosulfonyl)-1H-pyrazole-3-carboxylate

CAS No.:
1297611-70-1
Catalog Number:
AG01E61T
Molecular Formula:
C6H7ClN2O4S
Molecular Weight:
238.6488
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Product Description
Catalog Number:
AG01E61T
Chemical Name:
ethyl5-(chlorosulfonyl)-1H-pyrazole-3-carboxylate
CAS Number:
1297611-70-1
Molecular Formula:
C6H7ClN2O4S
Molecular Weight:
238.6488
MDL Number:
MFCD26130269
IUPAC Name:
ethyl 5-chlorosulfonyl-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C6H7ClN2O4S/c1-2-13-6(10)4-3-5(9-8-4)14(7,11)12/h3H,2H2,1H3,(H,8,9)
InChI Key:
AQSLQVMVVMEJMB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc([nH]n1)S(=O)(=O)Cl
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.982g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.642g/mol
Monoisotopic Mass:
237.982g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties