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2-ethynyl-4-fluorobenzaldehyde

2-ethynyl-4-fluorobenzaldehyde

CAS: 749874-24-6

Formula: C9H5FO

SMILES: FC1=CC=C(C=O)C(=C1)C#C

IUPAC: 2-ethynyl-4-fluorobenzaldehyde

InChI: InChI=1S/C9H5FO/c1-2-7-5-9(10)4-3-8(7)6-11/h1,3-6H

Composition: C (72.97%), H (3.40%), F (12.82%), O (10.80%)

Molar Mass: 148.136

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 148.032442944
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey KOLCSYHIVUAGEF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.03
Topological Polar Surface Area 17.07
Polarizability 14.47
Ring Count 1
Rotatable Bond Count 1

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98% <7 Days 749874-24-6 $25.88-$771.08$25.88$43.47$117.99$423.32$771.08
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