AG00D9DN

53439-87-5 | 2-Oxo-2,3-dihydro-1h-benzoimidazole-5-sulfonyl chloride

AG00D9DN

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CAS Number	53439-87-5
Catalog Number	AG00D9DN(AGN-PC-0KPYXI)
Chemical Name	2-Oxo-2,3-dihydro-1h-benzoimidazole-5-sulfonyl chloride
IUPAC Name	2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride
InChI	InChI=1S/C7H5ClN2O3S/c8-14(12,13)4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChI Key	OFWLWHNQAUHHGZ-UHFFFAOYSA-N
MDL Number	MFCD03965826
Molecular Formula	C7H5ClN2O3S
Molecular Weight	232.6442
SMILES	O=S(C1=CC=C(C(N2)=C1)NC2=O)(Cl)=O
Synonyms	53439-87-5, 2-Oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonyl chloride, 2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonyl chloride, 2-oxo-2,3-Dihydro-1H-benzo[d]imidazole-5-sulfonyl chloride, 1H-Benzimidazole-5-sulfonyl chloride, 2,3-dihydro-2-oxo-, 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonyl chloride, 2-oxo-1,3-dihydrobenzimidazole-5-sulfonyl chloride, MFCD03965826, 5-(chlorosulfonyl)-3-hydrobenzimidazol-2-one, PubChem5676, BAS 15036869, AC1MKN0P, AC1Q3VLQ, SCHEMBL1825612, SCHEMBL19465758, CTK4J7990, DTXSID40390270, ALBB-012422, 5093AE, SBB011651, STK524072, ZINC59681471, AKOS000200782, AKOS016016435, MCULE-6624985589, BS-13899, ST4132510, BB 0237599, CS-0071972, EN300-05011, 2-Hydroxy-1H-benzimidazole-5-sulfonyl chloride, D90106, Y-8280, A829587, 2-oxo-1,3-dihydro-1,3-benzodiazole-5-sulfonyl chloride, 2-Oxo-2,3-dihydro-1H-benzimidazole-5-sulfonylchloride, F2169-1116, 2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonyl chloride, 2-oxo-2,3-dihydro-1H-1,3-benzimidazole-5-sulfonyl chloride, 2-Oxo-2,3-dihydro-1H-benzoimidazole-5-sulfonyl chloride, AldrichCPR, C7H5ClN2O3S, CID3159944, 2,3-Dihydro-2-oxo-1H-benzimidazole-5-sulfonyl chloride, (1,3-benzodioxol-5-ylmethyl)(3-pyridinylmethyl)amine hydrobromide,

Complexity	350
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.971g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	232.638g/mol
Monoisotopic Mass	231.971g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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