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3- (4-Fluorobenzoyl) propionic acid 97%

CAT: 0286-F02555Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-F02555Size:25 g
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CAS Number
366-77-8
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00002793
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

3-(4-Fluorobenzoyl)propionic acid

4-(4-Fluorophenyl)-4-oxobutanoic acid is an aromatic ketone.

CAS Number366-77-8
PubChem CID101359
IUPAC Name4-(4-fluorophenyl)-4-oxobutanoic acid
Molecular FormulaC10H9FO3
Molecular Weight196.17
XLogP1.5
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity219
SMILES
C1=CC(=CC=C1C(=O)CCC(=O)O)F
InChI
InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChIKey
WUYWHIAAQYQKPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Fluorobenzoyl)propionic acid
CAS: 366-77-8
CID: 101359
Formula: C10H9FO3
MW: 196.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight196.17
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass196.05357231
Monoisotopic Mass196.05357231
Topological Polar Surface Area54.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity219
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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