4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid

Catalog No: FT-0623696

CAS No: 88-76-6

Chemical Name: 4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
Molecular Formula: C10H9ClN2O4S
Molecular Weight: 288.71
InChI Key: UWLNKHDLVZEYKQ-UHFFFAOYSA-N
InChI: InChI=1S/C10H9ClN2O4S/c1-6-4-10(14)13(12-6)9-5-7(18(15,16)17)2-3-8(9)11/h2-3,5H,4H2,1H3,(H,15,16,17)

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	344 °C(lit.)
CAS:	88-76-6
MF:	C10H9ClN2O4S
Flash_Point:	N/A
Product_Name:	1-(2'-Chloro-5'-sulfophenyl)-3-methyl-5-pyrazolone
Density:	1.6±0.1 g/cm3
FW:	288.707
Bolling_Point:	N/A

Melting_Point:	344 °C(lit.)
Refractive_Index:	1.640
MF:	C10H9ClN2O4S
Exact_Mass:	287.997162
LogP:	0.82
Molecular_Structure:	['1 . Molar refractive index 6641 ', '2 . Molar volume 1754 ', '3 . Parachor （902K）4985 ', '4 . Surface tension 652 ', '5 . Polarizability 2632']
FW:	288.707
PSA:	95.42000
Density:	1.6±0.1 g/cm3
Computational_Chemistry:	['1. XlogP :06 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :3 ', '6. TPSA 954 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :485 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']