AG003TFV

112941-26-1 | Methyl 2-(sulfamoylmethyl)benzoate

AG003TFV

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CAS Number	112941-26-1
Catalog Number	AG003TFV(AGN-PC-00OHS6)
Chemical Name	Methyl 2-(sulfamoylmethyl)benzoate
EC Number	419-010-5
IUPAC Name	methyl 2-(sulfamoylmethyl)benzoate
InChI	InChI=1S/C9H11NO4S/c1-14-9(11)8-5-3-2-4-7(8)6-15(10,12)13/h2-5H,6H2,1H3,(H2,10,12,13)
InChI Key	DBOUFTHAEAVMJC-UHFFFAOYSA-N
MDL Number	MFCD03265370
Molecular Formula	C9H11NO4S
Molecular Weight	229.2529
SMILES	O=S(CC1=CC=CC=C1C(OC)=O)(N)=O
Synonyms	112941-26-1, methyl 2-(sulfamoylmethyl)benzoate, o-Carbomethoxybenzyl sulfonamide, Methyl 2-(Aminosulfonylmethyl)benzoate, 2-(METHYLFORMATE)BENZYLSULFONAMIDE, 2-CARBOMETHOXYBENZYL SULFONAMIDE, METHYL 2-[(AMINOSULFONYL)METHYL]BENZOATE, Benzoic acid, 2-((aminosulfonyl)methyl)-, methyl ester, Benzoic acid, 2-[(aminosulfonyl)methyl]-, methyl ester, 2-(Methyl formate)benzyl sulfonamide, Methyl 2-((aminosulfonyl)methyl)benzoate, PubChem21429, EC 419-010-5, ACMC-1C68E, 2-Carbomethoxybenzylsulfonamide, SCHEMBL4880583, methyl-a-aminosulfonyl-o-toluate, 2-methoxycarbonylbenzylsulfonamide, CTK6J0679, 2-(Carbomethoxybenzyl sulfonamide, DBOUFTHAEAVMJC-UHFFFAOYSA-N, (2-methoxycarbonylbenzyl)sulfonamide, ZINC2507103, ANW-16549, Methyl2-(Aminosulfonylmethyl)benzoate, MFCD03265370, SBB053739, Methyl 2-[(sulfamoyl)methyl]benzoate, 2-(Methyl formate) benzyl sulfonamide, AKOS008901296, AB13872, LS11870, MCULE-8683221254, VZ23262, AN-33409, TS-00595, DB-041136, RT-023651, 2-(sulfamoylmethyl)benzoic acid methyl ester, FT-0642760, FT-0642761, FT-0686385, M1867, ST50949693, KS-00001466, 2-(Aminosulfonylmethyl)benzoic Acid Methyl Ester, 941M261, A802705, I01-1179, J-002878, Benzoic acid,2-[(aminosulfonyl)methyl]-, methyl ester, C9H11NO4S, methyl 2-((sulfamoyl)methyl)benzoate,

Complexity	320
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.041g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.25g/mol
Monoisotopic Mass	229.041g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	94.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P264-P270-P280-P301+P312+P330-P305+P351+P338+P337+P313-P501
UN Code

Certificate of Analysis

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