2-(4-tert-butylphenyl)acetonitrile

2-(4-tert-butylphenyl)acetonitrile

CAS: 3288-99-1

Formula: C12H15N

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

IUPAC: 2-(4-tert-butylphenyl)acetonitrile

InChI: InChI=1S/C12H15N/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7H,8H2,1-3H3

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	QKJPXROEIJPNHG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.01
Topological Polar Surface Area	23.79
Polarizability	21.17
Ring Count	1
Rotatable Bond Count	2

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