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2-(2,4,5-Trifluorophenyl)acetaldehyde

CAT: 0572-TRC-T792595-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-T792595-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111991-20-9
Synonyms
2,4,5-Trifluorobenzeneacetaldehyde;
Hazard Statement
No Data Available
Smiles
Fc1cc(F)c(CC=O)cc1F
Molecular Formula
C8 H5 F3 O
Molecular Weight
174.12
InChI
InChI=1S/C8H5F3O/c9-6-4-8(11)7(10)3-5(6)1-2-12/h2-4H,1H2
Additionnal Information
IUPAC name: 2-(2,4,5-trifluorophenyl)acetaldehyde
Shipping Conditions
Room Temperature

Chemical Information

2-(2,4,5-Trifluorophenyl)acetaldehyde
CAS Number111991-20-9
PubChem CID53403457
IUPAC Name2-(2,4,5-trifluorophenyl)acetaldehyde
Molecular FormulaC8H5F3O
Molecular Weight174.12
XLogP1.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity162
SMILES
C1=C(C(=CC(=C1F)F)F)CC=O
InChI
InChI=1S/C8H5F3O/c9-6-4-8(11)7(10)3-5(6)1-2-12/h2-4H,1H2
InChIKey
XFGUFAPXHXFYKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,4,5-Trifluorophenyl)acetaldehyde
CAS: 111991-20-9
CID: 53403457
Formula: C8H5F3O
MW: 174.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.12
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass174.02924926
Monoisotopic Mass174.02924926
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TRC-M222983-500MG2-(4-Methoxyphenyl)acetaldehyde
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Alternative Products

CatalogName
413295-012- (2,4,5-Trifluorophenyl) acetaldehyde
sc-2591572- (2,4,5-Trifluorophenyl) -ethanol
PC1001658-012- (2,4,5-Trifluorophenyl) acetamide
PC302001-012- (2,4,5-Trifluorophenyl) ethanol
RG-A262202-01(2,4,5-Trifluorophenyl) Methanol
sc-3220772,4,5-Trifluorophenyl isothiocyanate
ZQB10924-01(2,4,5-Trifluorophenyl) hydrazine
QDC51984-01(2,4,5-Trifluorophenyl) thiourea
sc-2884382,4,5-Trifluorophenyl isocyanate
PC10093664- (2,4,5-Trifluorophenyl) pyridine

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