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3-(3-Chlorophenyl)-1H-pyrazole-5-carboxylic acid

Catalog No: FT-0687897

CAS No: 595610-50-7

Chemical Name: 3-(3-Chlorophenyl)-1H-pyrazole-5-carboxylic acid
Molecular Formula: C10H7ClN2O2
Molecular Weight: 222.63
InChI Key: XJZLQBGNAQXXGE-UHFFFAOYSA-N
InChI: InChI=1S/C10H7ClN2O2/c11-7-3-1-2-6(4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)

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

Product_Name:	5-(3-Chlorophenyl)-1H-pyrazole-3-carboxylic acid
Flash_Point:	268.8±27.3 °C
Melting_Point:	N/A
FW:	222.628
Density:	1.5±0.1 g/cm3
CAS:	595610-50-7
Bolling_Point:	520.9±40.0 °C at 760 mmHg
MF:	C10H7ClN2O2

Molecular_Structure:	['1 . Molar refractive index 5519 ', '2 . Molar volume 1507 ', '3 . Parachor （902K）4323 ', '4 . Surface tension 676 ', '5 . Polarizability 2188']
LogP:	2.45
Flash_Point:	268.8±27.3 °C
Refractive_Index:	1.653
FW:	222.628
Density:	1.5±0.1 g/cm3
Bolling_Point:	520.9±40.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :24 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :4 ', '6. TPSA 66 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :250 ', '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']
PSA:	65.98000
Exact_Mass:	222.019608
Vapor_Pressure:	0.0±1.4 mmHg at 25°C
MF:	C10H7ClN2O2