2-ethyl-2-phenylbutanenitrile

2-ethyl-2-phenylbutanenitrile

CAS: 5336-57-2

Formula: C12H15N

SMILES: CCC(CC)(C#N)C1=CC=CC=C1

IUPAC: 2-ethyl-2-phenylbutanenitrile

InChI: InChI=1S/C12H15N/c1-3-12(4-2,10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3

Composition: C (83.19%), H (8.73%), N (8.08%)

Molar Mass: 173.259

Atom Count: 28

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	173.120449487
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	NIWOFSGCBJZYJQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.62
Topological Polar Surface Area	23.79
Polarizability	21.25
Ring Count	1
Rotatable Bond Count	3

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