AG0038LS

59777-67-2 | METHYL 3-SULFAMOYLBENZOATE

AG0038LS

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CAS Number	59777-67-2
Catalog Number	AG0038LS(AGN-PC-0JLGJE)
Chemical Name	METHYL 3-SULFAMOYLBENZOATE
IUPAC Name	methyl 3-sulfamoylbenzoate
InChI	InChI=1S/C8H9NO4S/c1-13-8(10)6-3-2-4-7(5-6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)
InChI Key	BUYUOBGADRKVAP-UHFFFAOYSA-N
MDL Number	MFCD06408801
Molecular Formula	C8H9NO4S
Molecular Weight	215.2264
SMILES	S(N)(=O)(=O)C=1C=C(C(=O)OC)C=CC1
Synonyms	Methyl 3-sulfamoylbenzoate, 59777-67-2, Methyl, 3-aminosulfonyl benzoate, Benzoic acid, 3-(aminosulfonyl)-, methyl ester, Methyl,3-aminosulfonylbenzoate, Methyl,3-aminosulfonyl benzoate, AC1Q6VAH, AC1Q42YJ, AC1L34W6, CHEMBL356422, SCHEMBL2300229, DTXSID7069360, CTK6J0534, Methyl 3-(aminosulfonyl)benzoate, BUYUOBGADRKVAP-UHFFFAOYSA-N, ACT09889, ZINC5997546, 3-Sulfamoylbenzoic acid methyl ester, MFCD06408801, 3-Sulfamoyl-benzoic acid methyl ester, METHYL 3-AMINOSULFONYLBENZOATE, AKOS000146554, 2-AMINOSOLFONYL METHYL BENZOATE, MCULE-4329550620, NE44363, AC-14015, AJ-55438, AS-30061, DB-007635, TC-030947, FT-0081020, FT-0651015, ST24047855, EN300-59663, Z53850824, C8-H9-N-O4-S, AR-1J5221, CID108836, 4-Sulfamoyl-benzoic acid methyl ester, Benzoicacid,3-(aminosulfonyl)-,methylester, 61470-33-5,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.025g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.223g/mol
Monoisotopic Mass	215.025g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	94.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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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