AG003HMX

252562-00-8 | 2-Methyl-4-(methylsulfonyl)aniline

AG003HMX

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CAS Number	252562-00-8
Catalog Number	AG003HMX(AGN-PC-03NWCB)
Chemical Name	2-Methyl-4-(methylsulfonyl)aniline
IUPAC Name	2-methyl-4-methylsulfonylaniline
InChI	InChI=1S/C8H11NO2S/c1-6-5-7(12(2,10)11)3-4-8(6)9/h3-5H,9H2,1-2H3
InChI Key	DWQJEYKNLZWXLJ-UHFFFAOYSA-N
MDL Number	MFCD09909541
Molecular Formula	C8H11NO2S
Molecular Weight	185.2434
SMILES	NC1=CC=C(S(=O)(C)=O)C=C1C
Synonyms	2-Methyl-4-(methylsulfonyl)aniline, 252562-00-8, 4-methanesulfonyl-2-methylaniline, 2-METHYL-4-METHYLSULFONYLANILINE, Benzenamine, 2-methyl-4-(methylsulfonyl)-, SCHEMBL4639254, KS-000009YW, 6193AJ, MFCD09909541, ZINC35277494, AKOS009471438, MCULE-2111476539, NE24478, TRA0073586, CS-11815, SY030781, FT-0714694, EN300-77012, MFCD09909541 (95%), Z1267881751, C8H11NO2S, 2-methyl-4-(methylsulfonyl)Benzenamine,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.051g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	185.241g/mol
Monoisotopic Mass	185.051g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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