AG0092AS

1033194-55-6 | 2-(N-Isopropylphenylsulfonamido)acetic acid

AG0092AS

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CAS Number	1033194-55-6
Catalog Number	AG0092AS(AGN-PC-0WBOFB)
Chemical Name	2-(N-Isopropylphenylsulfonamido)acetic acid
IUPAC Name	2-[benzenesulfonyl(propan-2-yl)amino]acetic acid
InChI	InChI=1S/C11H15NO4S/c1-9(2)12(8-11(13)14)17(15,16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)
InChI Key	MKWBTPFWQKLHLG-UHFFFAOYSA-N
MDL Number	MFCD11040511
Molecular Formula	C11H15NO4S
Molecular Weight	257.3061
SMILES	CC(C)N(CC(O)=O)S(=O)(=O)C1=CC=CC=C1
Synonyms	2-(N-Isopropylphenylsulfonamido)acetic acid, 1033194-55-6, (Benzenesulfonyl-isopropyl-amino)-acetic acid, SCHEMBL5297763, CTK6A9388, DTXSID40672841, MKWBTPFWQKLHLG-UHFFFAOYSA-N, 0792AA, ANW-63791, AR3263, MFCD11040511, ZINC35287545, N-isopropyl-N-(phenylsulfonyl)glycine, AKOS010046337, AJ-91209, AS-45563, N-(Benzenesulfonyl)-N-propan-2-ylglycine, TC-152536, Z-5392, 2-[benzenesulfonyl(propan-2-yl)amino]acetic acid, 2-[N-(propan-2-yl)benzenesulfonamido]acetic acid, C11H15NO4S, ACN-044954, 2-(N-Isopropylphenylsulfonamido)aceticacid,

Complexity	352
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	1
Isotope Atom Count	0
Molecular Weight	257.304g/mol
Monoisotopic Mass	257.072g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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