3-Acetyl-4-fluorobenzaldehyde

CAT: 0127-PC1021394Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC1021394Size:1 Each

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CAS Number

319455-11-3

MDL Number

MFCD17015608

Purity

97%

Smiles

C1 (c (ccc (c1) C=O) F) C (=O) C

Chemical Information

3-Acetyl-4-fluorobenzaldehyde

CAS Number	319455-11-3
PubChem CID	18668944
IUPAC Name	3-acetyl-4-fluorobenzaldehyde
Molecular Formula	C9H7FO2
Molecular Weight	166.15
XLogP	1.2
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	191

SMILES

CC(=O)C1=C(C=CC(=C1)C=O)F

InChI

InChI=1S/C9H7FO2/c1-6(12)8-4-7(5-11)2-3-9(8)10/h2-5H,1H3

InChIKey

RIAZJKYKUNOTNA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 319455-11-3

CID: 18668944

Formula: C9H7FO2

MW: 166.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.15
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	166.04300762
Monoisotopic Mass	166.04300762
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	191
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC1016173-01	3-Acetyl-2-fluorobenzaldehyde
PC1016176-01	3-Acetyl-5-ethoxy-2-fluorobenzaldehyde
PC1021393	5-Acetyl-2-fluorobenzaldehyde
PC1022432-01	4-Cyclopropyl-3-fluorobenzaldehyde
PC1828M-01	4-Chloro-3-fluorobenzaldehyde
PC500522-01	3- (Bromomethyl) -4-fluorobenzaldehyde
PC1008815-01	4- (Cyclohexyloxy) -3-fluorobenzaldehyde
PC1025171	4-Ethoxy-3-fluorobenzaldehyde
PC1022926	3-Benzyloxy-4-fluorobenzaldehyde
PC1828G-01	3-Chloro-4-fluorobenzaldehyde

Catalog	Name
WQB24069-01	4- (Dimethylamino) -3-fluorobenzaldehyde
007223	3-Cyano-4-fluorobenzaldehyde
TYD-00415-01	4-Bromo-3-fluorobenzaldehyde
425437-01	3-Ethoxy-4-fluorobenzaldehyde
267498-01	4-Chloro-3-fluorobenzaldehyde
sc-231509	3-Bromo-4-fluorobenzaldehyde
424738-01	3-Butoxy-4-fluorobenzaldehyde
CGA72510-01	4- (Diethylamino) -3-fluorobenzaldehyde
PLB67267-01	3-Cyclopropyl-4-fluorobenzaldehyde
PYB37956	4- (Difluoromethoxy) -3-fluorobenzaldehyde