AG002LDS

22892-96-2 | Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-nitro-

AG002LDS

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CAS Number	22892-96-2
Catalog Number	AG002LDS(AGN-PC-0JLYAL)
Chemical Name	Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-nitro-
EC Number	245-310-9
IUPAC Name	4-chloro-3-nitro-5-sulfamoylbenzoic acid
InChI	InChI=1S/C7H5ClN2O6S/c8-6-4(10(13)14)1-3(7(11)12)2-5(6)17(9,15)16/h1-2H,(H,11,12)(H2,9,15,16)
InChI Key	ACYLUAGCBGTEJF-UHFFFAOYSA-N
MDL Number	MFCD00058688
Molecular Formula	C7H5ClN2O6S
Molecular Weight	280.6424
SMILES	ClC1=C(C=C(C(=O)O)C=C1S(N)(=O)=O)[N+](=O)[O-]
Synonyms	4-chloro-3-nitro-5-sulfamoylbenzoic acid, 22892-96-2, 4-Chloro-3-nitro-5-sulphamoylbenzoic acid, 4-Chloro-3-nitro-5-sulfamoyl benzoic acid, EINECS 245-310-9, Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-nitro-, 4-Chloro-3-nitro-5-sulfamoyl-benzoic Acid, 2-chloro-3-nitro-5-carboxy-benzenesulphonamide, 3-(aminosulfonyl)-4-chloro-5-nitrobenzoic acid, 4-chloro-5-nitro-3-sulfamoylbenzoic acid, AC1L3ITR, AC1Q6TRM, ACMC-209uu6, SCHEMBL573259, AC1Q557K, BEN136, Jsp004616, CTK4F0396, DTXSID50177433, ACYLUAGCBGTEJF-UHFFFAOYSA-N, ALBB-025762, ZINC4521326, ANW-44236, BBL003539, MFCD00058688, SBB003020, STK895088, AKOS000120788, AC-8119, AN-8349, MCULE-8395766619, TRA0044698, VZ28771, 3-nitro-4-chloro-5-sulfamoylbenzoic acid, AJ-51403, LS-36036, SC-46525, 4-chloro-3-nitro-5-sulphamyl-benzoic acid, AB0011154, DB-046013, ST2405724, TC-132981, 3-Nitro-4-Chloro-5-Sulfamoyl Benzoic Acid, FT-0618084, R1870, ST45028902, 4-chloranyl-3-nitro-5-sulfamoyl-benzoic acid, 5-Aminosulfonyl-4-chloro-3-nitrobenzoic Acid, EN300-20855, 3-(Aminosulfonyl)-4-chloro-5-nitro-benzoic Acid, 892C962, A816404, Benzoic acid,3-(aminosulfonyl)-4-chloro-5-nitro-, I01-3461, W-107451, Z220533680, 4-Chloro-3-nitro-5-sulfamoylbenzoic acid, technical, >=90% (S), C7-H5-Cl-N2-O6-S, CID89893, AR-1G1655, 2350-21-2,

Complexity	427
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.956g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	280.635g/mol
Monoisotopic Mass	279.956g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	152A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319-H335-H315
Packing Group
Precautionary statements	P304+P340+P312-P405-P332+P313-P261-P271-P280-P305+P351+P338-P264-P501-P403+P233-P302+P352
UN Code

Certificate of Analysis

Lot Number