AG0076A9

121-52-8 | 3-Nitrobenzenesulfonamide

AG0076A9

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CAS Number	121-52-8
Catalog Number	AG0076A9(AGN-PC-0JL7MK)
Chemical Name	3-Nitrobenzenesulfonamide
EC Number	204-477-8
IUPAC Name	3-nitrobenzenesulfonamide
InChI	InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H,(H2,7,11,12)
InChI Key	TXTQURPQLVHJRE-UHFFFAOYSA-N
MDL Number	MFCD00007935
Molecular Formula	C6H6N2O4S
Molecular Weight	202.1878
NSC Number	407487
SMILES	C1=C([S](=O)(=O)N)C=CC=C1[N+]([O-])=O
Synonyms	3-Nitrobenzenesulfonamide, 121-52-8, Benzenesulfonamide, 3-nitro-, m-Nitrobenzenesulfonamide, 3-Nitrobenzolesulfamide, m-Nitrobenzenesulphonamide, 3-nitrobenzenesulphonamide, 3-Nitro-benzenesulfonamide, Benzenesulfonamide, m-nitro-, 3-nitrobenzene-1-sulfonamide, CHEMBL367035, TXTQURPQLVHJRE-UHFFFAOYSA-N, MFCD00007935, EINECS 204-477-8, m-nitrobenzolsulfonamid, NSC 407487, 3-nitrophenylsulfonamide, AI3-50018, 3-nitro-benzenesulfonamid, AC1Q1GYY, m-Nitrobenzene sulfonamide, 3-nitrobenzene sulfonamide, 3-nitrophenyl sulphonamide, AC1L26XH, ACMC-1BS91, KSC492S8D, SCHEMBL189037, 3-nitrobenzenesulfonamide,98%, AC1Q558L, 3-Nitrobenzenesulfonamide, 99%, DTXSID1059527, SCHEMBL11689478, CTK3J2981, KS-00000IPS, ACT01903, ZINC4262218, ANW-17750, BDBM50155501, Benzenesulfonamide, m-nitro- (8CI), NSC407487, STK980547, WT1911, AKOS000139907, AB00903, CS-W015516, GS-3451, MCULE-9836512292, NSC-407487, RTR-003510, AJ-49868, AK-41302, AN-43394, BR-41302, CJ-11744, EN002418, SC-44499, SY021865, TR-003510, AM20020297, FT-0631694, N0696, ST24032658, ST45216289, EN300-15719, A-5500, 121N528, I01-8208, I09-1713, W-109449, C6H6N2O4S, D07ZHE, C6-H6-N2-O4-S, CID67138, AR-1F4646, NSC227921, 3-Nitrobenzenesulfonamide, 98% - 1G 1g, 1122-84-5,

Complexity	289
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.005g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.184g/mol
Monoisotopic Mass	202.005g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	114A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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