AG00D9QQ

433695-36-4 | 5-Nitro-2,N,N-trimethylbenzenesulfonamide

AG00D9QQ

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CAS Number	433695-36-4
Catalog Number	AG00D9QQ(AGN-PC-0KMPQN)
Chemical Name	5-Nitro-2,N,N-trimethylbenzenesulfonamide
IUPAC Name	N,N,2-trimethyl-5-nitrobenzenesulfonamide
InChI	InChI=1S/C9H12N2O4S/c1-7-4-5-8(11(12)13)6-9(7)16(14,15)10(2)3/h4-6H,1-3H3
InChI Key	IFIUFCJFLGCQPH-UHFFFAOYSA-N
MDL Number	MFCD03039912
Molecular Formula	C9H12N2O4S
Molecular Weight	244.2676
SMILES	O=S(C1=CC([N+]([O-])=O)=CC=C1C)(N(C)C)=O
UNII	03G869PR3P
Synonyms	3-(N,N-dimethylsulfonamido)-4-methyl-nitrobenzene, BRL 50481, BRL-50481, 433695-36-4, BRL 50481, N,N,2-trimethyl-5-nitrobenzenesulfonamide, UNII-03G869PR3P, BRL50481, Benzenesulfonamide, N,N,2-trimethyl-5-nitro-, 5-Nitro-2,N,N-trimethylbenzenesulfonamide, CHEMBL484928, 03G869PR3P, MFCD03039912, AC1MFLLI, Cambridge id 6971444, GTPL5154, SCHEMBL4073001, CHEBI:93472, CTK1D2710, DTXSID30195832, IFIUFCJFLGCQPH-UHFFFAOYSA-N, HMS3260P09, HMS3268D16, HMS3677O11, ZINC4844756, Tox21_500234, BDBM50277784, STL377005, AKOS001298159, CCG-221538, LP00234, MCULE-4651516113, TRA0099262, NCGC00092345-01, NCGC00092345-02, NCGC00092345-03, NCGC00092345-04, NCGC00092345-05, NCGC00092345-06, NCGC00092345-07, NCGC00260919-01, HY-109586, N,N,2-Trimethyl-5-nitro-benzenesulfonamide, RT-011818, AK00565678, CS-0032567, EU-0100234, FT-0663604, ST50778990, BRL 50481, >=98% (HPLC), solid, N,N,2-trimethyl-5-nitrobenzene-1-sulfonamide, 2-methyl-5-nitro(N,N-dimethyl)benzenesulfonamide, dimethyl[(2-methyl-5-nitrophenyl)sulfonyl]amine, SR-01000247780, SR-01000247780-1, BRD-K84266862-001-01-6, BRD-K84266862-001-02-4, F1084-0159, 3-(N,N-Dimethylsulfonamido)-4-methylnitrobenzene, 5-Nitro-2-N,N-trimethylbenzenesulfonamide, D00MBG, ZINC04844756, CID2921148, T3112,

Complexity	355
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.052g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	244.265g/mol
Monoisotopic Mass	244.052g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	91.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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