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3-ethynyl-5-fluoroaniline

3-ethynyl-5-fluoroaniline

CAS: 1296271-79-8

Formula: C8H6FN

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

IUPAC: 3-ethynyl-5-fluoroaniline

InChI: InChI=1S/C8H6FN/c1-2-6-3-7(9)5-8(10)4-6/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 YTPUWHALCNKOEA-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 1296271-79-8 $966.00-$5,612.00$966.00$1,587.00$5,612.00
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