Methyl 3- ((3-fluorophenoxy) methyl) benzoate

CAT: 0127-PC1016554-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1016554-01Size:250 mg

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CAS Number

2492594-92-8

MDL Number

MFCD34838286

Purity

95%

Smiles

C1 (cccc (c1) OCc1cccc (c1) C (=O) OC) F

Chemical Information

Methyl 3-((3-fluorophenoxy)methyl)benzoate

CAS Number	2492594-92-8
PubChem CID	155154082
IUPAC Name	methyl 3-[(3-fluorophenoxy)methyl]benzoate
Molecular Formula	C15H13FO3
Molecular Weight	260.26
XLogP	3.3
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	295

SMILES

COC(=O)C1=CC=CC(=C1)COC2=CC(=CC=C2)F

InChI

InChI=1S/C15H13FO3/c1-18-15(17)12-5-2-4-11(8-12)10-19-14-7-3-6-13(16)9-14/h2-9H,10H2,1H3

InChIKey

HQJKJYCUMFUIFJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2492594-92-8

CID: 155154082

Formula: C15H13FO3

MW: 260.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.26
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	260.08487243
Monoisotopic Mass	260.08487243
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	295
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
PC1008857-01	Methyl 4- ((3-fluorophenoxy) methyl) benzoate
PC1019818-01	Ethyl 3- ((3-fluorophenoxy) methyl) benzoate
PC1021811-01	Methyl 4- ((4-fluorophenoxy) methyl) benzoate
PC1021608	Methyl 4- (4-fluorophenoxy) benzoate
PC1021675-01	Ethyl 4- ((4-fluorophenoxy) methyl) benzoate
PC1011246	3- ((3-fluorophenoxy) methyl) benzaldehyde
PC1025427-01	3-[ (3-Fluorophenoxy) methyl]benzonitrile
OR1003265-01	Methyl 3-[ (3-Formylphenoxy) methyl]benzoate
OR1080058-01	Methyl 3-[ (phenylmethoxy) methyl]benzoate
OR1100759-01	Methyl 3-[ (methylthio) methyl]benzoate

Catalog	Name
sc-328447	Methyl 3- (4-amino-2-fluorophenoxy) benzoate
sc-328427	Methyl 3- (2-amino-4-fluorophenoxy) benzoate
DMC07572-01	Methyl 2-amino-3- (2-fluorophenoxy) benzoate
sc-328592	Methyl 4- (2-amino-4-fluorophenoxy) benzoate
sc-328615	Methyl 4- (4-amino-2-fluorophenoxy) benzoate
sc-353853	Methyl 3-[ (chlorosulfonyl) methyl]benzoate
sc-312076	3-[ (3-Fluorophenoxy) methyl]pyrrolidine
sc-312075	3-[ (3-Fluorophenoxy) methyl]piperidinehydrochloride
sc-312074	3-[ (3-Fluorophenoxy) methyl]piperidine
GL2503-1kg	Methyl benzoate