AG009CJX

Name: Pyr10
Brand: Angene Chemical
SKU: AG009CJX

1315323-00-2 | Pyr10

AG009CJX

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CAS Number	1315323-00-2
Catalog Number	AG009CJX
Chemical Name	Pyr10
IUPAC Name	N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzenesulfonamide
InChI	InChI=1S/C18H13F6N3O2S/c1-11-2-8-14(9-3-11)30(28,29)26-12-4-6-13(7-5-12)27-16(18(22,23)24)10-15(25-27)17(19,20)21/h2-10,26H,1H3
InChI Key	CVALMMCIOLXHDM-UHFFFAOYSA-N
MDL Number	MFCD28411625
Molecular Formula	C18H13F6N3O2S
Molecular Weight	449.3701
SMILES	Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F
Synonyms	Pyr10, Pyr-10, 1315323-00-2, SCHEMBL17328269, GTPL10282, BCP16468, AKOS030526406, ZINC199564252, CS-5276, HY-19408, N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylbenzenesulfonamide, CVALMMCIOLXHDM-UHFFFAOYSA-N,

Complexity	678
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	449.063g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	449.371g/mol
Monoisotopic Mass	449.063g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

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