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2-(pyridazin-4-yl)acetonitrile

2-(pyridazin-4-yl)acetonitrile

CAS: 1142927-95-4

Formula: C6H5N3

SMILES: N#CCC1=CC=NN=C1

IUPAC: 2-(pyridazin-4-yl)acetonitrile

InChI: InChI=1S/C6H5N3/c7-3-1-6-2-4-8-9-5-6/h2,4-5H,1H2

Composition: C (60.50%), H (4.23%), N (35.27%)

Molar Mass: 119.127

Atom Count: 14

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 119.048347173
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey TVQXLINRIUVLHP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.05
Topological Polar Surface Area 49.57
Polarizability 12.07
Ring Count 1
Rotatable Bond Count 1

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