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Home Sulfos 1-Methyl-3-(trifluoromethyl)-1h-pyrazole-4-sulfonyl chloride

1-Methyl-3-(trifluoromethyl)-1h-pyrazole-4-sulfonyl chloride

CAS No.:
519056-67-8
Catalog Number:
AG00DCQI
Molecular Formula:
C5H4ClF3N2O2S
Molecular Weight:
248.6107
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$360
- +
1g
95%
1 week
United States
$844
- +
Product Description
Catalog Number:
AG00DCQI
Chemical Name:
1-Methyl-3-(trifluoromethyl)-1h-pyrazole-4-sulfonyl chloride
CAS Number:
519056-67-8
Molecular Formula:
C5H4ClF3N2O2S
Molecular Weight:
248.6107
MDL Number:
MFCD04115368
IUPAC Name:
1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C5H4ClF3N2O2S/c1-11-2-3(14(6,12)13)4(10-11)5(7,8)9/h2H,1H3
InChI Key:
HJFWSNIHZZKYIK-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)S(=O)(=O)Cl)C(F)(F)F
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.963g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.604g/mol
Monoisotopic Mass:
247.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties