AG00IALT

59777-72-9 | Benzoic acid, 2-(aminosulfonyl)-, ethyl ester

AG00IALT

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CAS Number	59777-72-9
Catalog Number	AG00IALT(AGN-PC-0LEVIQ)
Chemical Name	Benzoic acid, 2-(aminosulfonyl)-, ethyl ester
EC Number	611-882-7
IUPAC Name	ethyl 2-sulfamoylbenzoate
InChI	InChI=1S/C9H11NO4S/c1-2-14-9(11)7-5-3-4-6-8(7)15(10,12)13/h3-6H,2H2,1H3,(H2,10,12,13)
InChI Key	CYFKZTWSLPKROH-UHFFFAOYSA-N
MDL Number	MFCD00455715
Molecular Formula	C9H11NO4S
Molecular Weight	229.2529
SMILES	O=C(OCC)C1=CC=CC=C1S(=O)(N)=O
Synonyms	ethyl 2-(aminosulfonyl)benzoate, ethyl 2-sulfamoylbenzoate, 59777-72-9, 2-Carboethoxybenzene sulfonamide, Ethyl 2-(Aminosulfonyl)benzoate, 2-Carboethoxybenzenesulfonamide, o-Carboethoxybenzene sulfonamide, 2-Sulfamoylbenzoic Acid Ethyl Ester, Benzoic acid, 2-(aminosulfonyl)-, ethyl ester, 2-Ethoxycarbonylbenzenesulfonamide, PubChem21428, ACMC-209mfm, ChemDiv2_000017, AC1NF4O5, Oprea1_497868, KSC494C1F, CHEMBL149139, SCHEMBL7363093, 2-sulfamylbenzoic acid ethylester, CTK3J4112, KS-00000MQF, CYFKZTWSLPKROH-UHFFFAOYSA-N, HMS1369A17, ZINC254451, EBD38566, 2-(Ethoxycarbonyl)benzenesulphonamide, 2-Sulfamoyl-benzoic acid ethyl ester, ANW-33344, MFCD00455715, STK368804, AKOS005444246, MCULE-3231703504, VZ24141, AJ-18412, AK106241, AS-10865, BC202261, Benzoicacid-2-(aminosulphonyl)-ethylester, CJ-02607, SC-22794, O-ETHOXY CARBONYL BENZENESULFONAMIDE, AB0008358, DB-053461, RT-001871, 2-(ETHYL FORMATE)BENZENE SULFONAMIDE, FT-0640636, ST50904852, SR-01000389729, Q-200250, SR-01000389729-1, Ethyl2-sulfamoylbenzoate, C9H11NO4S, 2-Sulfamoylbenzoicacidethylester, 2-ethylcarbonylbenzene sulfonamide, ZINC00254451, CID4652880,

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	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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