Home Sulfos Methyl 5-(chlorosulfonyl)-1h-pyrazole-4-carboxylate

Methyl 5-(chlorosulfonyl)-1h-pyrazole-4-carboxylate

CAS No.:
1532000-54-6
Catalog Number:
AG00HY43
Molecular Formula:
C5H5ClN2O4S
Molecular Weight:
224.6222
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Product Description
Catalog Number:
AG00HY43
Chemical Name:
Methyl 5-(chlorosulfonyl)-1h-pyrazole-4-carboxylate
CAS Number:
1532000-54-6
Molecular Formula:
C5H5ClN2O4S
Molecular Weight:
224.6222
MDL Number:
MFCD18804128
IUPAC Name:
methyl 5-chlorosulfonyl-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C5H5ClN2O4S/c1-12-5(9)3-2-7-8-4(3)13(6,10)11/h2H,1H3,(H,7,8)
InChI Key:
JUPRTCJWTVXBNZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cn[nH]c1S(=O)(=O)Cl
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.966g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.615g/mol
Monoisotopic Mass:
223.966g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties