Methyl 5-ethoxy-2-fluorobenzoate

CAT: 0127-PC1016705Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1016705Size:250 mg

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CAS Number

2586127-12-8

MDL Number

MFCD32902693

Purity

97%

Smiles

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

Chemical Information

Methyl 5-ethoxy-2-fluorobenzoate

CAS Number	2586127-12-8
PubChem CID	163198225
IUPAC Name	methyl 5-ethoxy-2-fluorobenzoate
Molecular Formula	C10H11FO3
Molecular Weight	198.19
XLogP	2.2
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	196

SMILES

CCOC1=CC(=C(C=C1)F)C(=O)OC

InChI

InChI=1S/C10H11FO3/c1-3-14-7-4-5-9(11)8(6-7)10(12)13-2/h4-6H,3H2,1-2H3

InChIKey

ZBKPDVIELYOPGN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2586127-12-8

CID: 163198225

Formula: C10H11FO3

MW: 198.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.19
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	198.06922237
Monoisotopic Mass	198.06922237
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	196
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
PC1017413-01	Methyl 2-ethoxy-4-fluorobenzoate
PC1015941-01	Methyl 2-chloro-4-ethoxy-5-fluorobenzoate
PC1013438	Methyl 3-ethoxy-2-fluorobenzoate
PC1019490-01	Methyl 2-ethoxy-3-fluorobenzoate
PC1015471-01	Methyl 2-ethoxy-6-fluorobenzoate
PC900056-01	Methyl 4-ethoxy-2-fluorobenzoate
PC1012936-01	Methyl 5-bromo-3-ethoxy-2-fluorobenzoate
PC1016390-01	Methyl 5-chloro-3-ethoxy-2-fluorobenzoate
PC1006607-01	Methyl 4-bromo-5-ethoxy-2-fluorobenzoate
PC1015526	Ethyl 5-ethoxy-2-fluorobenzoate

Catalog	Name
455511-01	Methyl 4-ethoxy-2-fluorobenzoate
YZB35315-01	Methyl 2-amino-5-ethoxy-4-fluorobenzoate
EXB13384-01	Methyl 6-amino-3-ethoxy-2-fluorobenzoate
GZA08043-01	Methyl 2-cyano-5-fluorobenzoate
455658-01	Methyl 5-bromo-2-fluorobenzoate
JH350318	Methyl 5-chloro-2-fluorobenzoate
sc-263506	Methyl 2-amino-5-fluorobenzoate
sc-286218A	Methyl 2-bromomethyl-5-fluorobenzoate
MNA36221	Methyl 5-cyano-2-fluorobenzoate
UTB46086-01	Methyl 5- (chlorosulfonyl) -2-fluorobenzoate