AG003PPR

96195-89-0 | Diphenyliodonium-2-carboxylate Monohydrate

AG003PPR

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CAS Number	96195-89-0
Catalog Number	AG003PPR(AGN-PC-0W5T9H)
Chemical Name	Diphenyliodonium-2-carboxylate Monohydrate
IUPAC Name	2-phenyliodoniobenzoate;hydrate
InChI	InChI=1S/C13H9IO2.H2O/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;/h1-9H;1H2
InChI Key	NHCFFVMWVHFFSJ-UHFFFAOYSA-N
MDL Number	MFCD00150328
Molecular Formula	C13H11IO3
Molecular Weight	342.1291
SMILES	O=C([O-])C1=CC=CC=C1[I+]C2=CC=CC=C2.[H]O[H]
Synonyms	2-(Phenyliodonio)benzoate hydrate, Diphenyliodonium-2-carboxylate Monohydrate, 96195-89-0, AK161710, SCHEMBL1158182, CTK8E6664, NHCFFVMWVHFFSJ-UHFFFAOYSA-N, MFCD00150328, AKOS024336446, diphenyliodoni-um-2-carboxylate monohydrate, AX8215478, TR-038603, ST24039710, J-008521, (2-CARBOXYLATOPHENYL)(PHENYL)IODANIUM HYDRATE, Diphenyliodonium-2-carboxylate, C13H9IO2, (2-Carboxylatophenyl)phenyliodonium, C13-H9-I-O2, EINECS 216-070-2, NSC 86229, 1488-42-2, diphenyliodonium-2-carboxylatemonohydrate, AI3-62156, Iodonium, (2-carboxyphenyl)phenyl-, inner salt, Iodonium, (2-carboxyphenyl)phenyl-, hydroxide, inner salt, Iodonium, (o-carboxyphenyl)phenyl-, hydroxide, inner salt,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	341.975g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	342.132g/mol
Monoisotopic Mass	341.975g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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