AG01BTN7

Name: 1-[2-(Methylsulfanyl)-5-nitrophenyl]ethan-1-one
Brand: Angene Chemical
SKU: AG01BTN7

882257-23-0 | 1-[2-(Methylsulfanyl)-5-nitrophenyl]ethan-1-one

AG01BTN7

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CAS Number	882257-23-0
Catalog Number	AG01BTN7
Chemical Name	1-[2-(Methylsulfanyl)-5-nitrophenyl]ethan-1-one
IUPAC Name	1-(2-methylsulfanyl-5-nitrophenyl)ethanone
InChI	InChI=1S/C9H9NO3S/c1-6(11)8-5-7(10(12)13)3-4-9(8)14-2/h3-5H,1-2H3
InChI Key	JUSPIIZYFLLBBK-UHFFFAOYSA-N
MDL Number	MFCD01566453
Molecular Formula	C9H9NO3S
Molecular Weight	211.2377
SMILES	CSC1=C(C(C)=O)C=C([N+]([O-])=O)C=C1
Synonyms	1-[2-(methylsulfanyl)-5-nitrophenyl]ethan-1-one, AC1LCVB9, JUSPIIZYFLLBBK-UHFFFAOYSA-N, ZINC125371, AKOS012167531, CCG-240456, MCULE-3799122306, 1-(2-methylsulfanyl-5-nitrophenyl)ethanone, 1-[2-(Methylthio)-5-nitrophenyl]ethan-1-one, 1-[2-(Methylsulfanyl)-5-nitrophenyl]ethanone #, Z2755724173, 882257-23-0, CID607341, ZINC00125371,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.03g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	211.235g/mol
Monoisotopic Mass	211.03g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	88.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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