AG003AM8

50978-45-5 | N-Formylsaccharin

AG003AM8

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CAS Number	50978-45-5
Catalog Number	AG003AM8(AGN-PC-0AABJG)
Chemical Name	N-Formylsaccharin
IUPAC Name	1,1,3-trioxo-1,2-benzothiazole-2-carbaldehyde
InChI	InChI=1S/C8H5NO4S/c10-5-9-8(11)6-3-1-2-4-7(6)14(9,12)13/h1-5H
InChI Key	LMPIFZSJKLLOLM-UHFFFAOYSA-N
MDL Number	MFCD23380208
Molecular Formula	C8H5NO4S
Molecular Weight	211.1946
SMILES	C(=O)N1S(=O)(=O)C2=CC=CC=C2C1=O
Synonyms	N-Formylsaccharin, 50978-45-5, 3-Oxobenzo[d]isothiazole-2(3H)-carbaldehyde 1,1-dioxide, saccharinal, 1,1,3-trioxo-1,2-benzothiazole-2-carbaldehyde, SCHEMBL14429786, DTXSID80715600, LMPIFZSJKLLOLM-UHFFFAOYSA-N, MFCD23380208, ZINC96023964, AKOS027323595, AK315880, DA-42256, F0854, FT-0734588, 2-Formyl-3-oxo-2,3-dihydro-1,2-benzoisothiazole 1,1-dioxide, 1,1,3-Trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazole-2-carbaldehyde,

Complexity	369
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.994g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	211.191g/mol
Monoisotopic Mass	210.994g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	79.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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