AG00I0HT

Name: 2,5-Dimethanesulfonylbenzonitrile
Brand: Angene Chemical
SKU: AG00I0HT

1820608-13-6 | 2,5-Dimethanesulfonylbenzonitrile

AG00I0HT

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CAS Number	1820608-13-6
Catalog Number	AG00I0HT(AGN-PC-0WOCBM)
Chemical Name	2,5-Dimethanesulfonylbenzonitrile
IUPAC Name	2,5-bis(methylsulfonyl)benzonitrile
InChI	InChI=1S/C9H9NO4S2/c1-15(11,12)8-3-4-9(16(2,13)14)7(5-8)6-10/h3-5H,1-2H3
InChI Key	BCIJLWCGYKGGGX-UHFFFAOYSA-N
MDL Number	MFCD28096642
Molecular Formula	C9H9NO4S2
Molecular Weight	259.3021
SMILES	N#Cc1cc(ccc1S(=O)(=O)C)S(=O)(=O)C
Synonyms	2,5-Bis(methylsulfonyl)benzonitrile, 1820608-13-6, 2,5-DIMETHANESULFONYLBENZONITRILE, AKOS027342098, ZINC169725168,

Complexity	500
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.997g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	259.294g/mol
Monoisotopic Mass	258.997g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

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