4,5-diethylbenzene-1,2-dicarbonitrile

4,5-diethylbenzene-1,2-dicarbonitrile

CAS: 96563-12-1

Formula: C12H12N2

SMILES: CCC1=CC(C#N)=C(C=C1CC)C#N

IUPAC: 4,5-diethylbenzene-1,2-dicarbonitrile

InChI: InChI=1S/C12H12N2/c1-3-9-5-11(7-13)12(8-14)6-10(9)4-2/h5-6H,3-4H2,1-2H3

Composition: C (78.23%), H (6.57%), N (15.21%)

Molar Mass: 184.242

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	184.100048394
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	HTZTVMKBRKYSKD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.79
Topological Polar Surface Area	47.58
Polarizability	21.21
Ring Count	1
Rotatable Bond Count	2

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