AG00FAGN

66041-28-9 | 2-(3-Chloro-phenyl)-succinic acid

AG00FAGN

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CAS Number	66041-28-9
Catalog Number	AG00FAGN(AGN-PC-0NIWIO)
Chemical Name	2-(3-Chloro-phenyl)-succinic acid
IUPAC Name	2-(3-chlorophenyl)butanedioic acid
InChI	InChI=1S/C10H9ClO4/c11-7-3-1-2-6(4-7)8(10(14)15)5-9(12)13/h1-4,8H,5H2,(H,12,13)(H,14,15)
InChI Key	OUPCJGJSIKKQND-UHFFFAOYSA-N
MDL Number	MFCD06658407
Molecular Formula	C10H9ClO4
Molecular Weight	228.6291
SMILES	OC(CC(C1=CC(Cl)=CC=C1)C(O)=O)=O
Synonyms	2-(3-Chlorophenyl)succinic acid, 66041-28-9, 2-(3-CHLORO-PHENYL)-SUCCINIC ACID, 2-(3-chlorophenyl)butanedioic acid, SCHEMBL3450850, CTK5C3404, DTXSID90496312, 2-(3-Chlorophenyl)-succinic acid, 0138AC, AB1348, MFCD06658407, AKOS016010017, MCULE-3928930222, NS-02918, AX8029361, A-7415, A835313, 2- -SUCCINICACID, C10H9ClO4,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.019g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	228.628g/mol
Monoisotopic Mass	228.019g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	1
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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