2-(anthracen-9-yl)acetonitrile

2-(anthracen-9-yl)acetonitrile

CAS: 2961-76-4

Formula: C16H11N

SMILES: N#CCC1=C2C=CC=CC2=CC2=CC=CC=C12

IUPAC: 2-(anthracen-9-yl)acetonitrile

InChI: InChI=1S/C16H11N/c17-10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-8,11H,9H2

Composition: C (88.45%), H (5.10%), N (6.45%)

Molar Mass: 217.271

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	217.089149358
Formal Charge	0
FSP3	0.06
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	MUTCNFLGBMSLTA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.25
Topological Polar Surface Area	23.79
Polarizability	29.14
Ring Count	3
Rotatable Bond Count	1

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