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2-(quinolin-4-yl)acetonitrile

2-(quinolin-4-yl)acetonitrile

CAS: 14003-46-4

Formula: C11H8N2

SMILES: N#CCC1=CC=NC2=CC=CC=C12

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

InChI: InChI=1S/C11H8N2/c12-7-5-9-6-8-13-11-4-2-1-3-10(9)11/h1-4,6,8H,5H2

Composition: C (78.55%), H (4.79%), N (16.66%)

Molar Mass: 168.199

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 168.068748266
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey CKTDILDXLGTRNG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.27
Topological Polar Surface Area 36.68
Polarizability 20.53
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 14003-46-4 $82.80-$1,259.60$82.80$142.83$389.16$1,259.60
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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 14003-46-4 $81.65-$347.30$81.65$134.55$347.30
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95% <5 Days 14003-46-4 $3,630.00-$7,140.00$3,630.00$4,730.00$7,140.00
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95% <5 Days 14003-46-4 $109.71-$422.44$109.71$168.97$422.44
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