CAS 10109-95-2 | 1,4-Benzenedicarboxylic acid, 2,5-bis(phenylamino)- | CAS Number 10109-95-2

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10109-95-2 | 1,4-Benzenedicarboxylic acid, 2,5-bis(phenylamino)-

CAS No: 10109-95-2 Catalog No: AG0003QH MDL No:

Product Description

Catalog Number:

AG0003QH

Chemical Name:

1,4-Benzenedicarboxylic acid, 2,5-bis(phenylamino)-

CAS Number:

10109-95-2

Molecular Formula:

C20H16N2O4

Molecular Weight:

348.3520

IUPAC Name:

2,5-dianilinoterephthalic acid

InChI:

InChI=1S/C20H16N2O4/c23-19(24)15-12-18(22-14-9-5-2-6-10-14)16(20(25)26)11-17(15)21-13-7-3-1-4-8-13/h1-12,21-22H,(H,23,24)(H,25,26)

InChI Key:

ZJQZWNLKRBUEKX-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(Nc2ccccc2)c(cc1Nc1ccccc1)C(=O)O

EC Number:

233-302-8

Properties

Complexity:

442

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

348.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

348.358g/mol

Monoisotopic Mass:

348.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
2,5-Dianilinoterephthalate bridged MM quadruply bonded complexes of molybdenum and tungsten.	Dalton transactions (Cambridge, England : 2003) 20070107
Disodium 2,5-bis(phenylamino)terephthalate decahydrate, an intermediate in the industrial synthesis of quinacridone pigments.	Acta crystallographica. Section C, Crystal structure communications 20060201