AG003JSH

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CAS Number	2524-76-7
Catalog Number	AG003JSH(AGN-PC-0JLPI4)
Chemical Name	3-NITRO THIOANISOLE
EC Number	219-761-7
IUPAC Name	1-methylsulfanyl-3-nitrobenzene
InChI	InChI=1S/C7H7NO2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
InChI Key	GBGVXOUUXAIELM-UHFFFAOYSA-N
MDL Number	MFCD00024501
Molecular Formula	C7H7NO2S
Molecular Weight	169.2010
NSC Number	53644
SMILES	CSC1=CC=CC([N+]([O-])=O)=C1
Synonyms	3-Nitrothioanisole, 2524-76-7, 3-NITRO THIOANISOLE, 1-(Methylthio)-3-nitrobenzene, methyl 3-nitrophenyl sulfide, Methyl(3-nitrophenyl)sulfane, 1-(methylsulfanyl)-3-nitrobenzene, 1-methylsulfanyl-3-nitrobenzene, 3-nitro thioanisol, NSC53644, EINECS 219-761-7, PubChem8316, ACMC-209gig, AC1Q1YTI, AC1L2P8J, methyl m-nitrophenyl sulfide, AC1Q4H23, SCHEMBL1145909, CTK4F5300, 1-methylsulfanyl-3-nitro-benzene, DTXSID30179899, GBGVXOUUXAIELM-UHFFFAOYSA-N, ZINC1684594, ANW-25670, MFCD00024501, NSC-53644, AKOS006344921, AS04260, MCULE-5856316637, RP23161, VZ35168, KS-000015E1, AC-16440, AN-25282, CJ-27797, SC-46182, U815, DB-046652, TR-032939, FT-0616213, N0800, Y-8771, I09-1437, J-512953, Thioanisole, C7H7NO2S, C7-H7-N-O2-S, CID75656, AR-1J5190, 2568-30-1,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.02g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	169.198g/mol
Monoisotopic Mass	169.02g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	71.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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