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2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde

2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde

CAS: 1260759-96-3

Formula: C9H6F4O

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

IUPAC: 2-[5-fluoro-2-(trifluoromethyl)phenyl]acetaldehyde

InChI: InChI=1S/C9H6F4O/c10-7-1-2-8(9(11,12)13)6(5-7)3-4-14/h1-2,4-5H,3H2

Composition: C (52.44%), H (2.93%), F (36.87%), O (7.76%)

Molar Mass: 206.14

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 206.035477465
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey RBSQCPKACITDPR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.63
Topological Polar Surface Area 17.07
Polarizability 15.16
Ring Count 1
Rotatable Bond Count 3

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95% <5 Days 1260759-96-3 $2,200.00-$3,850.00$2,200.00$2,970.00$3,850.00
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