AG002WUV

28860-09-5 | N-Ethyl 3-nitrobenzenesulfonamide

AG002WUV

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CAS Number	28860-09-5
Catalog Number	AG002WUV(AGN-PC-0LXPFN)
Chemical Name	N-Ethyl 3-nitrobenzenesulfonamide
IUPAC Name	N-ethyl-3-nitrobenzenesulfonamide
InChI	InChI=1S/C8H10N2O4S/c1-2-9-15(13,14)8-5-3-4-7(6-8)10(11)12/h3-6,9H,2H2,1H3
InChI Key	TXJRJTMIPLQFGN-UHFFFAOYSA-N
MDL Number	MFCD05659961
Molecular Formula	C8H10N2O4S
Molecular Weight	230.2410
SMILES	O=S(C1=CC=CC([N+]([O-])=O)=C1)(NCC)=O
Synonyms	28860-09-5, N-ETHYL 3-NITROBENZENESULFONAMIDE, N-ethyl-3-nitrobenzenesulfonamide, AC1OHLYP, ACMC-1COTR, SCHEMBL922441, CTK4G2295, 3-Nitro-N-ethylbenzenesulfonamide, DTXSID30428430, ethyl[(3-nitrophenyl)sulfonyl]amine, ZINC4369120, Benzenesulfonamide,N-ethyl-3-nitro-, ANW-26489, MFCD05659961, SBB051452, Benzenesulfonamide, N-ethyl-3-nitro-, AKOS003835565, AB21719, MCULE-5885485286, TC-115234, FT-0676015, N-ETHYL-3-NITROBENZENE-1-SULFONAMIDE, V4934, K-7106, I01-10559, C8H10N2O4S, ZINC04369120, CID7213246,

Complexity	317
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.036g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.238g/mol
Monoisotopic Mass	230.036g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	100A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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