1, 1- Diphenyl- 2- nitroethylene - CAS 5670-69-9

Catalog:	BB068763
Product Name:	1, 1- Diphenyl- 2- nitroethylene
CAS:	5670-69-9
Synonyms:	1,1'-(Nitroethenylidene)bis[benzene]; (2-Nitroethene-1,1-diyl)dibenzene; ; 1,1-Diphenyl-2-nitroethene; 1,1-Diphenyl-2-nitroethylene; 1,1'-(2-Nitroethene-1,1-diyl)dibenzene; 1-Nitro-2,2-diphenylethene; 1-Nitro-2,2-diphenylethylene; 2-Nitro-1,1-diphenylethene; 2-Nitro-1,1-diphenylethylene

Technical Data

IUPAC Name:	(2-nitro-1-phenylethenyl)benzene
Description:	1, 1- Diphenyl- 2- nitroethylene is used in the preparation of nitroalkanes and in the synthesis of nitroolefins for the chemical industry.
Molecular Weight:	225.24
Molecular Formula:	C14H11NO2
Canonical SMILES:	C1=CC=C(C=C1)C(=C[N+](=O)[O-])C2=CC=CC=C2
InChI:	InChI=1S/C14H11NO2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H
InChI Key:	OYDWWBGGMKUUNB-UHFFFAOYSA-N
References:	Aitken, R. A., et al. Science of Synthesis, 41, 258 (2010); Jovel, I., et al. Adv. Synth. Catal., 350, 2493 (2008).

Complexity:	261
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.078978594
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.078978594
Rotatable Bond Count:	2
Topological Polar Surface Area:	45.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1