Hydrazobenzene

CAS: 122-66-7 | C12H12N2

2D Structure

Loading 3D structure...

CAS Registry Number

122-66-7

SMILES

c1ccc(NNc2ccccc2)cc1

InChI Key

YBQZXXMEJHZYMB-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	184.24 g/mol	CAS Common Chemistry
	184.24200000000002 g/mol	RDKit
	184.242 g/mol	RDKit
Density	1.16 g/cm³	CAS Common Chemistry
	1.158 g/cm3 @ 16 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Hydrazobenzene	CAS Common Chemistry
Canonical SMILES	C=1C=CC(=CC1)NNC=2C=CC=CC2	CAS Common Chemistry
InChI	InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H	CAS Common Chemistry
InChI Key	InChIKey=YBQZXXMEJHZYMB-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	131 °C (decomp)	CAS Common Chemistry
Name	Hydrazobenzene	CAS Common Chemistry
Heavy Atom Count	14	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	2	RDKit
Rotatable Bonds	3	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	24.06 Å²	RDKit
LogP	3.1256000000000013	RDKit
	3.1256	RDKit
Molar Refractivity	60.129400000000025 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	184.100048384 g/mol	RDKit
Boiling Point	293 °C @ 760 Torr	CAS Common Chemistry

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Other compounds with formula C12H12N2.