AG000D8Z

116802-97-2 | 2,6-Dichloroterephthalic acid

AG000D8Z

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CAS Number	116802-97-2
Catalog Number	AG000D8Z(AGN-PC-0JKQMW)
Chemical Name	2,6-Dichloroterephthalic acid
IUPAC Name	2,6-dichloroterephthalic acid
InChI	InChI=1S/C8H4Cl2O4/c9-4-1-3(7(11)12)2-5(10)6(4)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChI Key	LJUJMEBEACINIP-UHFFFAOYSA-N
MDL Number	MFCD00995867
Molecular Formula	C8H4Cl2O4
Molecular Weight	235.0210
SMILES	O=C(O)C1=C(Cl)C=C(C(O)=O)C=C1Cl
Synonyms	2,6-dichloroterephthalic acid, 116802-97-2, 1,4-Benzenedicarboxylic acid, 2,6-dichloro-, Benzenedicarboxylic acid, dichloro-, 41906-38-1, Dichlorobenzenedicarboxylic acid, ACMC-20mmti, SCHEMBL543454, AC1L20Y7, CTK0G0385, DTXSID60194676, LJUJMEBEACINIP-UHFFFAOYSA-N, ZINC4390302, 2,6-dichloro-4-carboxybenzoic acid, AKOS005061303, MCULE-6454174208, AK516668, Decyl myristate, C8-H4-Cl2-O4, CID39047,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.949g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	235.016g/mol
Monoisotopic Mass	233.949g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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

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