1,5-bis(4-Nitrophenyl)-3-phenylformazan - CAS 21420-47-3

Catalog:	BB058710
Product Name:	1,5-bis(4-Nitrophenyl)-3-phenylformazan
CAS:	21420-47-3
Synonyms:	2- (4- Nitrophenyl) hydrazone-[2- (4- nitrophenyl) diazenyl] phenylmethanone; (4-nitrophenyl)[[(4-nitrophenyl)hydrazono]phenylmethyl]diazene; α-(p-nitrophenylazo)-α-[(p-nitrophenyl)hydrazono]toluene

Technical Data

IUPAC Name:	N'-(4-nitroanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide
Description:	1,5-bis(4-Nitrophenyl)-3-phenylformazan was used for cyclization of N-alkylformazans to leucoverdazyls.
Molecular Weight:	390.35
Molecular Formula:	C19H14N6O4
Canonical SMILES:	C1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI:	InChI=1S/C19H14N6O4/c26-24(27)17-10-6-15(7-11-17)20-22-19(14-4-2-1-3-5-14)23-21-16-8-12-18(13-9-16)25(28)29/h1-13,20H/b22-19-,23-21?
InChI Key:	RAIUTTAVBNEBTE-QUHCWSQZSA-N
References:	McConnachie, G., et al. Tetrahedron, 31, 555 (1975).

Complexity:	607
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	390.10765295
Formal Charge:	0
Heavy Atom Count:	29
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	390.10765295
Rotatable Bond Count:	5
Topological Polar Surface Area:	141Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.4