Leuco-2,6-dichlorophenolindophenol - CAS 2099-87-8

Catalog:	BB060465
Product Name:	Leuco-2,6-dichlorophenolindophenol
CAS:	2099-87-8
Synonyms:	Phenol, 2,6-dichloro-4,4'-iminodi- (6CI,7CI,8CI); 2,6-Dichloro-4-[(4-hydroxyphenyl)amino]phenol; 4,4'-Dihydroxy-3,5-dichlorodiphenylamine; DPIPH2; Reduced 2,6-dichloroindophenol; Reduced 2,6-dichlorophenolindophenol; Phenol, 2,6-dichloro-4-[(4-hydroxyphenyl)amino]-

Technical Data

IUPAC Name:	2,6-dichloro-4-(4-hydroxyanilino)phenol
Description:	Leuco-2,6-dichlorophenolindophenol is the reduced form of DCIP and has been used to measure photocatalytic oxidation.
Molecular Weight:	270.11
Molecular Formula:	C12H9Cl2NO2
Canonical SMILES:	C1=CC(=CC=C1NC2=CC(=C(C(=C2)Cl)O)Cl)O
InChI:	InChI=1S/C12H9Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,15-17H
InChI Key:	IFTGQCOAUCEONK-UHFFFAOYSA-N
References:	Krysa, J.; et al. Catalysis Today, 240, 132 (2015). Kafizas, A.; et al. Chemistry - A European Journal, 18, 13048 (2012)..

Complexity:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	269.0010339
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	269.0010339
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2