AG0033E4

6269-91-6 | 2-Methyl-5-nitrobenzenesulfonamide

AG0033E4

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CAS Number	6269-91-6
Catalog Number	AG0033E4(AGN-PC-0JOBCG)
Chemical Name	2-Methyl-5-nitrobenzenesulfonamide
IUPAC Name	2-methyl-5-nitrobenzenesulfonamide
InChI	InChI=1S/C7H8N2O4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3,(H2,8,12,13)
InChI Key	CLXWMMGXFSZUNP-UHFFFAOYSA-N
MDL Number	MFCD00115503
Molecular Formula	C7H8N2O4S
Molecular Weight	216.2144
NSC Number	33880
SMILES	CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N
Synonyms	2-methyl-5-nitrobenzenesulfonamide, 6269-91-6, 2-Methyl-5-nitrobenzenesulphonamide, 2-methyl-5-nitrobenzene-1-sulfonamide, Benzenesulfonamide, 2-methyl-5-nitro-, 2-methyl-5-nitro-benzenesulfonamide, NSC33880, p-Nitrotoluolsulfamid, 6269-91-6[rn], AC1L5RVM, AC1Q2LUM, AC1Q6TRP, KSC495K2J, BEN115, SCHEMBL1276094, CTK3J5524, DTXSID50283866, CLXWMMGXFSZUNP-UHFFFAOYSA-N, ACN-S004359, BCP14877, KS-00000B7E, ZINC3865903, 2-Methyl-5-nitrobenzene Sulfonamide, 3-aminosulfonyl-4-methylnitrobenzene, ANW-44126, BBL003961, CCG-44619, MFCD00115503, NSC-33880, SBB063357, STK396673, 2-methyl-5-nitro-1-benzenesulfonamide, AKOS001037940, AC-1170, CM10950, MCULE-3421468277, PS-3181, TRA0001724, AJ-46273, AK-87079, AN-15196, BC681092, CJ-10972, SY017578, U266, AB0019176, DB-049879, RT-002578, ST2404495, FT-0658937, ST50411922, Z-4417, MFCD00115503 (97+%), 269M916, A833931, SR-01000389728, I01-1394, SR-01000389728-1, SR-01000389728-2, Z45415558, F0346-0257, F1084-0158, C7H8N2O4S, AR-1H0744, CID234282, 6771-77-3,

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	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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