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Home Sulfos 1-(2,5-Dichloro-4-sulfophenyl)-3-methyl-5-pyrazolone monohydrate

1-(2,5-Dichloro-4-sulfophenyl)-3-methyl-5-pyrazolone monohydrate

CAS No.:
84-57-1
Catalog Number:
AG008HI8
Molecular Formula:
C10H8Cl2N2O4S
Molecular Weight:
323.1525
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$63
- +
25g
95%
In Stock USA
United States
$175
- +
Product Description
Catalog Number:
AG008HI8
Chemical Name:
1-(2,5-Dichloro-4-sulfophenyl)-3-methyl-5-pyrazolone monohydrate
CAS Number:
84-57-1
Molecular Formula:
C10H8Cl2N2O4S
Molecular Weight:
323.1525
MDL Number:
MFCD00035706
IUPAC Name:
2,5-dichloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
InChI:
InChI=1S/C10H8Cl2N2O4S/c1-5-2-10(15)14(13-5)8-3-7(12)9(4-6(8)11)19(16,17)18/h3-4H,2H2,1H3,(H,16,17,18)
InChI Key:
KCEIVWKDBLAQKL-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1)c1cc(Cl)c(cc1Cl)S(=O)(=O)O
EC Number:
201-541-7
NSC Number:
50666
Properties
Complexity:
516  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.958g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
323.144g/mol
Monoisotopic Mass:
321.958g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties