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1006453-67-3,MFCD06805441
Catalog No.:AA008S9E
1006453-67-3 | 3-Methyl-1-propyl-1h-pyrazole-4-sulfonyl chloride
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250mg
2 weeks  
$250.00   $175.00
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Technical Information
Catalog Number:
AA008S9E
Chemical Name:
3-Methyl-1-propyl-1h-pyrazole-4-sulfonyl chloride
CAS Number:
1006453-67-3
Molecular Formula:
C7H11ClN2O2S
Molecular Weight:
222.6924
MDL Number:
MFCD06805441
IUPAC Name:
3-methyl-1-propylpyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C7H11ClN2O2S/c1-3-4-10-5-7(6(2)9-10)13(8,11)12/h5H,3-4H2,1-2H3
InChI Key:
MHMMJWSVCOHMGK-UHFFFAOYSA-N
SMILES:
CCCn1nc(c(c1)S(=O)(=O)Cl)C
Properties
Computed Properties
 
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.023g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.687g/mol
Monoisotopic Mass:
222.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
3-methyl-1-propyl-1H-pyrazole-4-sulfonyl chloride 
1006453-67-3 
AKOS000302130 
MCULE-4370089327 
TR-045781 
ST50342062 
3-methyl-1-propylpyrazole-4-sulfonyl chloride 
3-Methyl-1-propyl-1H-pyrazole-4-sulfonyl chloride, AldrichCPR 
C7H11ClN2O2S 
chloro(3-methyl-1-propylpyrazol-4-yl)sulfone 
CTK6E5035 
DTXSID10599117 
7224AC 
MFCD06805441 
SBB018181 
STK350161 
ZINC59681480 
Literature
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