AG0007XM

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CAS Number	102619-05-6
Catalog Number	AG0007XM(AGN-PC-0LN724)
Chemical Name	1H-Pyrrole-2-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-
IUPAC Name	1-(4-methylphenyl)sulfonylpyrrole-2-carbaldehyde
InChI	InChI=1S/C12H11NO3S/c1-10-4-6-12(7-5-10)17(15,16)13-8-2-3-11(13)9-14/h2-9H,1H3
InChI Key	PJJJROQSNDRWIU-UHFFFAOYSA-N
MDL Number	MFCD00671580
Molecular Formula	C12H11NO3S
Molecular Weight	249.2856
SMILES	O=CC1=CC=CN1S(=O)(C2=CC=C(C)C=C2)=O
Synonyms	102619-05-6, 1-(p-Toluenesulfonyl)pyrrole-2-aldehyde, 1-Tosyl-1H-pyrrole-2-carbaldehyde, 1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde, N-tosyl-pyrrole-2-carboxaldehyde, AC1Q2LID, AC1NO67N, 1-(4-methylphenyl)sulfonylpyrrole-2-carbaldehyde, ACMC-20982c, SCHEMBL2457308, CTK8A9038, DTXSID30408636, PJJJROQSNDRWIU-UHFFFAOYSA-N, KS-000013KZ, ZINC2567316, ANW-14722, MFCD00671580, AKOS022664097, VP60051, CC-02495, TC-103467, FT-0642492, C-15307, I14-93816, 1-[(4-Methyl-Benzene)Sulfonyl]-1H-Pyrrole-2-Carbaldehyde, CID5132995,

Complexity	366
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.046g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	249.284g/mol
Monoisotopic Mass	249.046g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	64.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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