AG00IS9V

Name: ethyl 4-chloro-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
Brand: Angene Chemical
SKU: AG00IS9V

855345-12-9 | ethyl 4-chloro-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate

AG00IS9V

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CAS Number	855345-12-9
Catalog Number	AG00IS9V(AGN-PC-0BYF1M)
Chemical Name	ethyl 4-chloro-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
IUPAC Name	ethyl 4-chloro-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
InChI	InChI=1S/C7H6ClF3N2O2/c1-2-15-6(14)4-3(8)5(13-12-4)7(9,10)11/h2H2,1H3,(H,12,13)
InChI Key	ZZAXJKKEFLFPKU-UHFFFAOYSA-N
MDL Number	MFCD22373662
Molecular Formula	C7H6ClF3N2O2
Molecular Weight	242.5829
SMILES	ClC=1(C(=NNC=1C(F)(F)F)C(=O)OCC)
Synonyms	ethyl 4-chloro-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate, 855345-12-9, SCHEMBL3463424, SCHEMBL13682657, KS-000024WJ, ZX-RL003533, MFCD22373662, ZINC72319854, AKOS015991378, EG-0704, MCULE-2643974934, PC200338,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.007g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.582g/mol
Monoisotopic Mass	242.007g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited