Ethyl 4- ((4-fluorophenoxy) methyl) benzoate

CAT: 0127-PC1021675-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1021675-01Size:250 mg

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CAS Number

56442-40-1

MDL Number

MFCD05624393

Purity

95%

Smiles

C1c (ccc (c1) OCc1ccc (cc1) C (=O) OCC) F

Chemical Information

Ethyl 4-((4-fluorophenoxy)methyl)benzoate

CAS Number	56442-40-1
PubChem CID	925860
IUPAC Name	ethyl 4-[(4-fluorophenoxy)methyl]benzoate
Molecular Formula	C16H15FO3
Molecular Weight	274.29
XLogP	3.7
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	292

SMILES

CCOC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)F

InChI

InChI=1S/C16H15FO3/c1-2-19-16(18)13-5-3-12(4-6-13)11-20-15-9-7-14(17)8-10-15/h3-10H,2,11H2,1H3

InChIKey

AWEIGWDNVFSCHJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56442-40-1

CID: 925860

Formula: C16H15FO3

MW: 274.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	274.29
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	274.10052250
Monoisotopic Mass	274.10052250
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	292
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
PC1021608	Methyl 4- (4-fluorophenoxy) benzoate
PC1021811-01	Methyl 4- ((4-fluorophenoxy) methyl) benzoate
PC1008857-01	Methyl 4- ((3-fluorophenoxy) methyl) benzoate
PC1019818-01	Ethyl 3- ((3-fluorophenoxy) methyl) benzoate
OR1040734-01	Ethyl 4- ((diethoxyphosphoryl) methyl) benzoate
PC1016554-01	Methyl 3- ((3-fluorophenoxy) methyl) benzoate
OR61406	Methyl 4-[2- (4-aminophenyl) ethyl]benzoate
OR1094657-01	Ethyl 4- (cyclopropyl (hydroxy) methyl) benzoate
PC1016589-01	Ethyl 2-methyl-4- (trifluoromethyl) benzoate
OR1083988-01	Ethyl 4-[ (1-naphthalenyloxy) methyl]benzoate

Catalog	Name
sc-328592	Methyl 4- (2-amino-4-fluorophenoxy) benzoate
sc-328615	Methyl 4- (4-amino-2-fluorophenoxy) benzoate
sc-328447	Methyl 3- (4-amino-2-fluorophenoxy) benzoate
sc-328427	Methyl 3- (2-amino-4-fluorophenoxy) benzoate
WSA84782-01	Ethyl 4-[ (chlorosulfonyl) methyl]benzoate
IDC65708-01	Methyl 2-amino-4-fluoro-5- (4-fluorophenoxy) benzoate
FH HF 0192-01	Ethyl 4-[ethoxy (diphenyl) methyl]benzoate
CS-ED-01006	Ethyl 4- (methyl (nitroso) amino) benzoate
DMC07572-01	Methyl 2-amino-3- (2-fluorophenoxy) benzoate
sc-320700	[2- (4-Chloro-2-fluorophenoxy) ethyl]methyl-cyanocarbonimidodithioate