AG002OBN

2449-35-6 | Benzoic acid, 4,4'-sulfonylbis-

AG002OBN

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CAS Number	2449-35-6
Catalog Number	AG002OBN(AGN-PC-0JNCPH)
Chemical Name	Benzoic acid, 4,4'-sulfonylbis-
IUPAC Name	4-(4-carboxyphenyl)sulfonylbenzoic acid
InChI	InChI=1S/C14H10O6S/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChI Key	SQJQLYOMPSJVQS-UHFFFAOYSA-N
MDL Number	MFCD00020375
Molecular Formula	C14H10O6S
Molecular Weight	306.2906
NSC Number	12451
SMILES	O=S(C1=CC=C(C=C1)C(O)=O)(C2=CC=C(C=C2)C(O)=O)=O
Synonyms	4,4'-Sulfonyldibenzoic acid, 2449-35-6, 4,4'-Dicarboxydiphenyl Sulfone, 4,4-sulfonyldibenzoic acid, p,p'-Sulfonyl dibenzoic acid, CHEMBL220175, NSC-12451, 4-[(4-carboxybenzene)sulfonyl]benzoic acid, AC1Q6TVR, ACMC-1CRM3, AC1L5D3I, p,p'-Sulfonyldibenzoic acid, Oprea1_284611, Oprea1_350644, SCHEMBL22349, 4,4'-sulfonylbisbenzoic acid, 4,4'-dicarboxydiphenylsulfone, 4,4''-sulfonyldibenzoic acid, AC1Q736V, 4,4'-Sulfonylbis-benzoic Acid, Benzoic acid,4,4'-sulfonylbis-, CTK4F3801, DTXSID50279360, SQJQLYOMPSJVQS-UHFFFAOYSA-N, ZINC348142, NSC12451, 4,4'-Sulfonyldibenzoic acid, 97%, BDBM50293597, MFCD00020375, STK366523, AKOS003242095, MCULE-9945369466, RTR-011308, TRA0070701, 4-(4-carboxyphenyl)sulfonylbenzoic acid, 4-[(4-carboxyphenyl)sulfonyl]benzoic acid, D2367, ST50409925, KS-00001735, SR-01000312649, SR-01000312649-1, 4,4 inverted exclamation marka-Sulfonyldibenzoic acid, I01-18868, Diphenyl sulfone 4,4 inverted exclamation marka-dicarboxylic acid, InChI=1/C14H10O6S/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18, 4,4/'-Sulfonyldibenzoic acid, 4,4'-SULFONYLDIBENZOICACID, AR-1F8177, CID224167, 2844-92-0,

Complexity	450
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.02g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	306.288g/mol
Monoisotopic Mass	306.02g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	117A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number