AG009E42

1351395-66-8 | (S)-N-(1-hydroxypropan-2-yl)-2-nitrobenzenesulfonaMide

AG009E42

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CAS Number	1351395-66-8
Catalog Number	AG009E42(AGN-PC-0WA31I)
Chemical Name	(S)-N-(1-hydroxypropan-2-yl)-2-nitrobenzenesulfonaMide
IUPAC Name	N-[(2S)-1-hydroxypropan-2-yl]-2-nitrobenzenesulfonamide
InChI	InChI=1S/C9H12N2O5S/c1-7(6-12)10-17(15,16)9-5-3-2-4-8(9)11(13)14/h2-5,7,10,12H,6H2,1H3/t7-/m0/s1
InChI Key	FDFFWQKRBIFMNE-ZETCQYMHSA-N
MDL Number	MFCD21064871
Molecular Formula	C9H12N2O5S
Molecular Weight	260.2670
SMILES	O=S(C1=CC=CC=C1[N+]([O-])=O)(N[C@@H](C)CO)=O
Synonyms	1351395-66-8, (S)-N-(1-HYDROXYPROPAN-2-YL)-2-NITROBENZENESULFONAMIDE, N-[(1S)-2-Hydroxy-1-methylethyl]-2-nitrobenzenesulfonamide, FDFFWQKRBIFMNE-ZETCQYMHSA-N, N-[(2S)-1-Hydroxypropan-2-yl]-2-nitrobenzenesulfonamide, SCHEMBL14990813, DTXSID80734932, ACT08333, KS-00000T6A, MFCD21064871, AKOS015149233, DS-9073, CS-0059830, N-[(S)-1-Methyl-2-hydroxyethyl]-2-nitrobenzenesulfonamide, N-[(2S)-1-Hydroxypropan-2-yl]-2-nitrobenzene-1-sulfonamide,

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	260.047g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	260.264g/mol
Monoisotopic Mass	260.047g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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