Home Sulfos 4-bromo-1-[2-(ethanesulfonyl)ethyl]-1H-pyrazole

4-bromo-1-[2-(ethanesulfonyl)ethyl]-1H-pyrazole

CAS No.:
1183069-91-1
Catalog Number:
AG01BF0T
Molecular Formula:
C7H11BrN2O2S
Molecular Weight:
267.1434
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Product Description
Catalog Number:
AG01BF0T
Chemical Name:
4-bromo-1-[2-(ethanesulfonyl)ethyl]-1H-pyrazole
CAS Number:
1183069-91-1
Molecular Formula:
C7H11BrN2O2S
Molecular Weight:
267.1434
MDL Number:
MFCD12824375
IUPAC Name:
4-bromo-1-(2-ethylsulfonylethyl)pyrazole
InChI:
InChI=1S/C7H11BrN2O2S/c1-2-13(11,12)4-3-10-6-7(8)5-9-10/h5-6H,2-4H2,1H3
InChI Key:
MRBHNINPUCNMGS-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)CCn1ncc(c1)Br
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.972g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.141g/mol
Monoisotopic Mass:
265.972g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties