AG00CMB0

Name: Pyriprole
Brand: Angene Chemical
SKU: AG00CMB0

394730-71-3 | Pyriprole

AG00CMB0

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CAS Number	394730-71-3
Catalog Number	AG00CMB0(AGN-PC-0RJTRQ)
Chemical Name	Pyriprole
IUPAC Name	1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(difluoromethylsulfanyl)-5-(pyridin-2-ylmethylamino)pyrazole-3-carbonitrile
InChI	InChI=1S/C18H10Cl2F5N5S/c19-11-5-9(18(23,24)25)6-12(20)14(11)30-16(28-8-10-3-1-2-4-27-10)15(31-17(21)22)13(7-26)29-30/h1-6,17,28H,8H2
InChI Key	MWMQNVGAHVXSPE-UHFFFAOYSA-N
MDL Number	MFCD33022350
Molecular Formula	C18H10Cl2F5N5S
Molecular Weight	494.2685
SMILES	ClC1=C(C(=CC(=C1)C(F)(F)F)Cl)N1N=C(C(=C1NCC1=NC=CC=C1)SC(F)F)C#N
UNII	69OX73ZVJN
Synonyms	pyriprole, Pyriprole, Pyriprole [ISO], UNII-69OX73ZVJN, 394730-71-3, 69OX73ZVJN, SCHEMBL27011, CHEBI:81845, DTXSID20192613, MWMQNVGAHVXSPE-UHFFFAOYSA-N, C18580, V-3086, 1-(2,6-dichloro-4-trifluoromethylphenyl)-4-difluoromethylthio-5-(pyridin-2-ylmethylamino)pyrazole-3-carbonitrile,

Complexity	639
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	492.995g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	494.265g/mol
Monoisotopic Mass	492.995g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	91.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.3

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