Home Sulfos 1-(cyclopropylmethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride

1-(cyclopropylmethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride

CAS No.:
1183992-83-7
Catalog Number:
AG01ABVT
Molecular Formula:
C9H13ClN2O2S
Molecular Weight:
248.7297
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Product Description
Catalog Number:
AG01ABVT
Chemical Name:
1-(cyclopropylmethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CAS Number:
1183992-83-7
Molecular Formula:
C9H13ClN2O2S
Molecular Weight:
248.7297
MDL Number:
MFCD12804987
IUPAC Name:
1-(cyclopropylmethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C9H13ClN2O2S/c1-6-9(15(10,13)14)7(2)12(11-6)5-8-3-4-8/h8H,3-5H2,1-2H3
InChI Key:
HDSFNXIOMAMBQV-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1S(=O)(=O)Cl)C)CC1CC1
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.039g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.725g/mol
Monoisotopic Mass:
248.039g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties