AG003K98

21731-56-6 | 4-(Methylsulfonyl)-2-nitroaniline

AG003K98

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CAS Number	21731-56-6
Catalog Number	AG003K98(AGN-PC-0JLXT2)
Chemical Name	4-(Methylsulfonyl)-2-nitroaniline
EC Number	244-550-1
IUPAC Name	4-methylsulfonyl-2-nitroaniline
InChI	InChI=1S/C7H8N2O4S/c1-14(12,13)5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
InChI Key	NDZFWKZHVAUUTN-UHFFFAOYSA-N
MDL Number	MFCD00718367
Molecular Formula	C7H8N2O4S
Molecular Weight	216.2144
SMILES	NC1=CC=C(S(=O)(C)=O)C=C1[N+]([O-])=O
Synonyms	4-(methylsulfonyl)-2-nitroaniline, 21731-56-6, 4-Mesyl-2-nitroaniline, Benzenamine, 4-(methylsulfonyl)-2-nitro-, 4-methanesulfonyl-2-nitroaniline, 4-methylsulfonyl-2-nitroaniline, 4-(methylsulphonyl)-2-nitroaniline, 4-(methylsulfonyl)-2-nitrophenylamine, PubChem22982, AC1L3GZA, AC1Q5AOF, SCHEMBL913390, 2-Nitroaniline-4-methylsulfone, Jsp004419, Jsp004420, DTXSID2066727, CTK4E7578, 4-methylsulfonyl-2-nitro-aniline, NDZFWKZHVAUUTN-UHFFFAOYSA-N, 4-methylsulfonyl-2-nitrophenylamine, KS-000009RW, ZINC4216112, EINECS 244-550-1, 1037AB, ANW-55000, MFCD00718367, SBB095253, STK874294, 4-methanesulfonyl-2-nitro-phenylamine, 4-(methylsulfonyl)-2-nitrobenzenamine, 4-Amino-3-nitrophenyl methyl sulphone, AKOS002313034, AC-2714, MCULE-3527982777, PS-5967, TRA0004567, 2-Amino-5-(methylsulphonyl)nitrobenzene, 1-amino-4-methylsulfonyl-2-nitrobenzene, Benzenamine,4-(methylsulfonyl)-2-nitro-, AJ-48981, AN-13666, CJ-11580, SC-27271, SY002643, DB-017368, TR-010203, FT-0649920, ST50411649, A24526, K-6180, MFCD00718367 (97+%), AE-641/00784032, J-014259, I01-10041, F0865-0001, C7H8N2O4S, CID89024, AR-1F7111, ZINC04216112, 1H-1,2,3,4-Tetrazole-1-acetic acid, 7469-86-5, 78333-16-1,

Complexity	316
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.02g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.211g/mol
Monoisotopic Mass	216.02g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	114A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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