AG003VTM

99987-05-0 | 4-[(tert-Butylamino)sulfonyl]benzoic Acid

AG003VTM

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CAS Number	99987-05-0
Catalog Number	AG003VTM(AGN-PC-0K0Z1P)
Chemical Name	4-[(tert-Butylamino)sulfonyl]benzoic Acid
IUPAC Name	4-(tert-butylsulfamoyl)benzoic acid
InChI	InChI=1S/C11H15NO4S/c1-11(2,3)12-17(15,16)9-6-4-8(5-7-9)10(13)14/h4-7,12H,1-3H3,(H,13,14)
InChI Key	KLTFWNOBVBGGCG-UHFFFAOYSA-N
MDL Number	MFCD03001320
Molecular Formula	C11H15NO4S
Molecular Weight	257.3061
SMILES	O=C(O)C1=CC=C(S(=O)(NC(C)(C)C)=O)C=C1
Synonyms	4-[(tert-butylamino)sulfonyl]benzoic acid, 99987-05-0, 4-(tert-butylsulfamoyl)benzoic Acid, AC1Q1MOS, Oprea1_325262, SCHEMBL3716571, CTK5I0857, DTXSID50360681, 4-tert-Butylsulfamoyl-benzoic acid, ZINC874371, 6059AJ, MFCD03001320, AKOS000118623, MCULE-5027577894, NE33171, SY028693, BB 0237922, EN300-10872, MFCD03001320 (95%), 4-[(tert-Butylamino)sulfonyl]benzoic acid, AldrichCPR, C11H15NO4S, CID1133436,

Complexity	369
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.072g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	257.304g/mol
Monoisotopic Mass	257.072g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	91.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number