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2-(3,4,5-trifluorophenyl)acetaldehyde

2-(3,4,5-trifluorophenyl)acetaldehyde

CAS: 1256477-61-8

Formula: C8H5F3O

SMILES: FC1=CC(CC=O)=CC(F)=C1F

IUPAC: 2-(3,4,5-trifluorophenyl)acetaldehyde

InChI: InChI=1S/C8H5F3O/c9-6-3-5(1-2-12)4-7(10)8(6)11/h2-4H,1H2

Composition: C (55.18%), H (2.89%), F (32.73%), O (9.19%)

Molar Mass: 174.122

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 174.02924927
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey UWOQYJMJCAPGOD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.09
Topological Polar Surface Area 17.07
Polarizability 13.39
Ring Count 1
Rotatable Bond Count 2

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