AG00CIR3

359442-67-4 | N-(Allyloxy)-2-nitrobenzenesulfonamide

AG00CIR3

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CAS Number	359442-67-4
Catalog Number	AG00CIR3(AGN-PC-0WAEAV)
Chemical Name	N-(Allyloxy)-2-nitrobenzenesulfonamide
IUPAC Name	2-nitro-N-prop-2-enoxybenzenesulfonamide
InChI	InChI=1S/C9H10N2O5S/c1-2-7-16-10-17(14,15)9-6-4-3-5-8(9)11(12)13/h2-6,10H,1,7H2
InChI Key	LCFNIMWVJDLNSM-UHFFFAOYSA-N
MDL Number	MFCD01413818
Molecular Formula	C9H10N2O5S
Molecular Weight	258.2511
SMILES	O=S(C1=CC=CC=C1[N+]([O-])=O)(NOCC=C)=O
Synonyms	N-(Allyloxy)-2-nitrobenzenesulfonamide, 359442-67-4, AK-96409, C9H10N2O5S, SCHEMBL15318838, CTK8B6618, KS-00000PWR, DTXSID40573344, LCFNIMWVJDLNSM-UHFFFAOYSA-N, ANW-53766, MFCD01413818, ZINC75260163, N-allyloxy-2-nitro-benzenesulfonamide, AKOS016000172, 2-nitro-N-prop-2-enoxybenzenesulfonamide, DS-18072, 2-nitro-N-prop-2-enoxy-benzenesulfonamide, AB0052422, AJ-121605, AX8228195, TC-142511, 4CH-011648, ST24025600, Z4650, M-9293, 2-Nitro-N-[(prop-2-en-1-yl)oxy]benzene-1-sulfonamide,

Complexity	370
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.031g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.248g/mol
Monoisotopic Mass	258.031g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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