AG0037RW

22808-73-7 | Benzoic acid,4-(aminosulfonyl)-, methyl ester

AG0037RW

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CAS Number	22808-73-7
Catalog Number	AG0037RW(AGN-PC-0JLY9L)
Chemical Name	Benzoic acid,4-(aminosulfonyl)-, methyl ester
EC Number	245-235-1
IUPAC Name	methyl 4-sulfamoylbenzoate
InChI	InChI=1S/C8H9NO4S/c1-13-8(10)6-2-4-7(5-3-6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)
InChI Key	XLOVNJUCAFIANM-UHFFFAOYSA-N
MDL Number	MFCD03768500
Molecular Formula	C8H9NO4S
Molecular Weight	215.2264
NSC Number	251214
SMILES	COC(=O)c1ccc(cc1)S(=O)(=O)N
Synonyms	methyl 4-sulfamoylbenzoate, 22808-73-7, Methyl 4-sulphamoylbenzoate, Methyl 4-(aminosulfonyl)benzoate, 4-(Aminosulfonyl)benzoic acid methyl ester, Benzoic acid, 4-(aminosulfonyl)-, methyl ester, NSC 251214, Benzoic acid,4-(aminosulfonyl)-, methyl ester, 4-Methoxycarbonylbenzenesulfonamide, XLOVNJUCAFIANM-UHFFFAOYSA-N, 4-Sulfamoyl-benzoic acid methyl ester, Methyl p-sulfamylbenzoate, EINECS 245-235-1, AC1L3IQC, AC1Q6VB9, TimTec1_006275, CHEMBL148763, SCHEMBL1178941, Methyl p-(Aminosulfonyl)benzoate, CTK4F0221, DTXSID10177358, HMS1551N05, ZINC106888, 4-methoxycarbonyl benzenesulfonamide, methyl [4-(aminosulfonyl)]benzoate, Methyl 4-(aminosulfonyl)benzoate #, 4-Sulfamoylbenzoic Acid Methyl Ester, NSC251214, STK734727, AKOS000137371, p-Sulfamoyl-benzoic Acid Methyl Ester, MCULE-3447646038, NSC-251214, p-Carboxybenzenesulfonamide Methyl Ester, p-Sulfam-6-ylbenzoic acid, methyl ester, AK399172, TS-00460, ST4084356, FT-0672144, 10.14272/XLOVNJUCAFIANM-UHFFFAOYSA-N, doi:10.14272/XLOVNJUCAFIANM-UHFFFAOYSA-N, 4-(AMINOSULFONYL)BENZOIC ACID, METHYL ESTER, J-014862, A3136/0132606, methyl4-sulphamoylbenzoate, C8-H9-N-O4-S, CID89847, AR-1H9194, 23420-61-3,

Complexity	298
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	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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