Home Sulfos (4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)methanesulfonyl chloride

(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)methanesulfonyl chloride

CAS No.:
1483810-89-4
Catalog Number:
AG01B39G
Molecular Formula:
C6H8BrClN2O2S
Molecular Weight:
287.5619
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Product Description
Catalog Number:
AG01B39G
Chemical Name:
(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)methanesulfonyl chloride
CAS Number:
1483810-89-4
Molecular Formula:
C6H8BrClN2O2S
Molecular Weight:
287.5619
MDL Number:
MFCD21316964
IUPAC Name:
(4-bromo-2,5-dimethylpyrazol-3-yl)methanesulfonyl chloride
InChI:
InChI=1S/C6H8BrClN2O2S/c1-4-6(7)5(10(2)9-4)3-13(8,11)12/h3H2,1-2H3
InChI Key:
JWFLYRYUQPEODV-UHFFFAOYSA-N
SMILES:
Brc1c(C)nn(c1CS(=O)(=O)Cl)C
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.918g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.556g/mol
Monoisotopic Mass:
285.918g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties