AG003SE0

77925-80-5 | N-(Benzyloxy)-2-nitrobenzenesulfonamide

AG003SE0

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CAS Number	77925-80-5
Catalog Number	AG003SE0(AGN-PC-0WAEAX)
Chemical Name	N-(Benzyloxy)-2-nitrobenzenesulfonamide
IUPAC Name	2-nitro-N-phenylmethoxybenzenesulfonamide
InChI	InChI=1S/C13H12N2O5S/c16-15(17)12-8-4-5-9-13(12)21(18,19)14-20-10-11-6-2-1-3-7-11/h1-9,14H,10H2
InChI Key	HMDOHALMCRHCFZ-UHFFFAOYSA-N
MDL Number	MFCD23135238
Molecular Formula	C13H12N2O5S
Molecular Weight	308.3098
SMILES	O=S(C1=CC=CC=C1[N+]([O-])=O)(NOCC2=CC=CC=C2)=O
Synonyms	N-(Benzyloxy)-2-nitrobenzenesulfonamide, 77925-80-5, AK-96410, SCHEMBL4421032, CTK8B6617, DTXSID60431674, HMDOHALMCRHCFZ-UHFFFAOYSA-N, KS-00000B9T, ANW-53765, MFCD23135238, ZINC33981021, AKOS009053939, CS-W003917, TRA-0198735, 2-nitro-N-phenylmethoxybenzenesulfonamide, AJ-86574, BBV-39474815, DA-41371, DS-18073, SY027967, AB0050989, AX8228196, N-(phenylmethoxy)-2-nitrobenzenesulfonamide, TC-142510, 4CH-011649, FT-0752917, ST24025601, Z5121, M-9964, MFCD23135238 (95+%), C13H12N2O5S, CID9839578, 2-nitro-N-phenylmethoxy-benzenesulfonamide,

Complexity	437
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	308.047g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	308.308g/mol
Monoisotopic Mass	308.047g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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