4-Methoxybenzoyl fluoride

CAT: 0127-PC1001272Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC1001272Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

701-53-1

MDL Number

MFCD13173596

Purity

98%

Smiles

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

Chemical Information

4-methoxybenzoyl Fluoride

CAS Number	701-53-1
PubChem CID	11116260
IUPAC Name	4-methoxybenzoyl fluoride
Molecular Formula	C8H7FO2
Molecular Weight	154.14
XLogP	2.4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	139

SMILES

COC1=CC=C(C=C1)C(=O)F

InChI

InChI=1S/C8H7FO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3

InChIKey

YVFLMEGQPCRTTO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 701-53-1

CID: 11116260

Formula: C8H7FO2

MW: 154.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.14
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	154.04300762
Monoisotopic Mass	154.04300762
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	139
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
OR1021733	4-Methoxybenzoyl isothiocyanate
OR78299-01	4- (4-Methoxybenzoyl) oxane
OR1096019	4- (4-Methoxybenzoyl) benzonitrile
PC1008200-01	4-Methoxyphenoxytetrafluoroethanesulphonyl fluoride
PC1001461-01	4-Fluorobenzenesulfonyl fluoride
PC5637-01	4-Methoxymetanilyl fluoride
PC900114-01	4-Bromobenzenesulfonyl fluoride
PC103858-01	4-Hydroxybenzenesulfonyl fluoride
PC57047-01	4-Nitrobenzal fluoride
PC107655	4-Iodobenzenesulfonyl fluoride

Catalog	Name
XCA39840	4-Bromobenzoyl fluoride
433044-01	4-Methoxymetanilyl fluoride
431230-01	4-Bromobenzenesulfonyl fluoride
N495818	4-Nitrobenzyl fluoride
GTR19216453-01	Thalidomide 4-fluoride
AR-A02209-01	4-Aminobenzyl Fluoride
AAA34989	4-Chlorobenzenesulfonyl fluoride
sc-290457	4-Nitrobenzenesulfonyl Fluoride
GTR19235961-01	4-Fluorophenoxytetrafluoroethanesulfonyl fluoride
AAA45949-01	4-Bromobenzyl fluoride