AG003SXL

549476-61-1 | N-Cyclopropyl-4-nitrobenzenesulfonamide

AG003SXL

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CAS Number	549476-61-1
Catalog Number	AG003SXL(AGN-PC-0SIC5P)
Chemical Name	N-Cyclopropyl-4-nitrobenzenesulfonamide
IUPAC Name	N-cyclopropyl-4-nitrobenzenesulfonamide
InChI	InChI=1S/C9H10N2O4S/c12-11(13)8-3-5-9(6-4-8)16(14,15)10-7-1-2-7/h3-7,10H,1-2H2
InChI Key	SFXOKDPLGLHGIX-UHFFFAOYSA-N
MDL Number	MFCD00458256
Molecular Formula	C9H10N2O4S
Molecular Weight	242.2517
SMILES	O=S(C1=CC=C([N+]([O-])=O)C=C1)(NC2CC2)=O
Synonyms	549476-61-1, N-cyclopropyl-4-nitrobenzenesulfonamide, N-Cyclopropyl 4-Nitrophenylsulfonamide, MFCD00458256, cyclopropyl[(4-nitrophenyl)sulfonyl]amine, N-Cyclopropyl4-Nitrophenylsulfonamide, PubChem18638, ACMC-209lkb, AC1MPG4H, CTK8B1885, KS-00000EMW, DTXSID50392447, ZINC2737307, ANW-32217, STL168233, STL227684, AKOS002276659, AKOS005170016, MCULE-8222598694, N-cyclopropyl-4-nitro-benzenesulfonamide, AJ-44171, AN-13803, AS-31574, SC-26871, SY002202, N-cyclopropyl-4-nitrobenzene-1-sulfonamide, AB0071992, DB-018607, TC-120962, FT-0757692, ST45145058, ST45174603, V6562, B-8204, MFCD00458256 (97+%), I01-10089, C9H10N2O4S, ZINC02737307, CID3434716,

Complexity	358
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.036g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.249g/mol
Monoisotopic Mass	242.036g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	100A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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