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3-ethynyl-2-fluoroaniline

3-ethynyl-2-fluoroaniline

CAS: 870606-34-1

Formula: C8H6FN

SMILES: NC1=C(F)C(=CC=C1)C#C

IUPAC: 3-ethynyl-2-fluoroaniline

InChI: InChI=1S/C8H6FN/c1-2-6-4-3-5-7(10)8(6)9/h1,3-5H,10H2

Composition: C (71.10%), H (4.48%), F (14.06%), N (10.36%)

Molar Mass: 135.141

Atom Count: 16

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 135.04842736
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey QPYLSPDWOMYSNR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.15
Topological Polar Surface Area 26.02
Polarizability 13.7
Ring Count 1
Rotatable Bond Count 0

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96% <2 Days 870606-34-1 $802.70-$4,597.70$802.70$1,147.70$4,597.70
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