AG003K9B

22821-76-7 | 4-(Methylsulfonyl)benzonitrile

AG003K9B

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CAS Number	22821-76-7
Catalog Number	AG003K9B(AGN-PC-0JS976)
Chemical Name	4-(Methylsulfonyl)benzonitrile
IUPAC Name	4-methylsulfonylbenzonitrile
InChI	InChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,1H3
InChI Key	FARXIDYHJAANGP-UHFFFAOYSA-N
MDL Number	MFCD00216489
Molecular Formula	C8H7NO2S
Molecular Weight	181.2117
SMILES	S(=O)(=O)(C)c1ccc(cc1)C#N
Synonyms	4-(Methylsulfonyl)benzonitrile, 22821-76-7, 4-Methanesulfonyl-benzonitrile, 4-methylsulfonylbenzonitrile, Benzonitrile, 4-(methylsulfonyl)-, 4-methanesulfonylbenzonitrile, Benzonitrile, p-(methylsulfonyl)-, FARXIDYHJAANGP-UHFFFAOYSA-N, 4-(methylsulfonyl)benzenecarbonitrile, 4-(methylsulphonyl)benzonitrile, 4-Mesylbenzonitrile, MFCD00216489, AC1LATG8, AC1Q4GHL, Maybridge3_003168, p-methylsulfonylbenzonitrile, 4-methylsulphonylbenzonitrile, p-Methanesulfonylbenzonitrile, 4-methylsulfonyl benzonitrile, 4-methylsulfonyl-benzonitrile, 4-methylsulphonyl benzonitrile, SCHEMBL803901, Jsp004606, CTK4F0272, KS-00000ECX, Benzonitrile,4-(methylsulfonyl)-, DTXSID80334214, HMS1439P22, ZINC153765, 4-(CH3SO2)-C6H4-CN, ACT09311, CS-M0385, 4-Methylsulphonyl benzonitrile, 95%, ANW-74264, SBB058966, STL217852, AKOS009158874, AC-2926, MCULE-4385269658, PS-5905, TRA0053712, IDI1_014555, AJ-13082, AK-68731, AN-13451, CJ-01288, SC-26907, SY003357, 4-(Methylsulfonyl)benzonitrile, AldrichCPR, AB0005807, TR-010693, A4856, FT-0676470, ST24043110, ST45241419, X5724, EN300-36979, A-2075, MFCD00216489 (97+%), I14-13172, Z381357608, C8H7NO2S, CID519981, ZINC00153765, 4-(Methylsulfonyl)benzonitrile, 97% - 1G 1g,

Complexity	285
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.02g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.209g/mol
Monoisotopic Mass	181.02g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number