Methyl 2-fluoro-4-methoxybenzoate

CAT: 0127-PC502590-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC502590-01Size:250 mg

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CAS Number

128272-26-4

MDL Number

MFCD06203758

Purity

97%

Smiles

COC(=O)c1ccc(OC)cc1F

Chemical Information

Methyl 2-fluoro-4-methoxybenzoate

CAS Number	128272-26-4
PubChem CID	21255685
IUPAC Name	methyl 2-fluoro-4-methoxybenzoate
Molecular Formula	C9H9FO3
Molecular Weight	184.16
XLogP	1.8
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	184

SMILES

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

InChI

InChI=1S/C9H9FO3/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5H,1-2H3

InChIKey

ZWXVPCDIGBXITB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 128272-26-4

CID: 21255685

Formula: C9H9FO3

MW: 184.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.16
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	184.05357231
Monoisotopic Mass	184.05357231
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	184
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
PC200606-01	Methyl 4-fluoro-2-methoxybenzoate
PC6363-01	Methyl 3-fluoro-4-methoxybenzoate
PC200313-01	Methyl 4-fluoro-3-methoxybenzoate
PC1006811-01	Methyl 2-amino-6-fluoro-4-methoxybenzoate
PC1014835	Methyl 5-chloro-2-fluoro-4-methoxybenzoate
PC1012947-01	Methyl 3-cyano-2-fluoro-4-methoxybenzoate
PC1005268-01	Methyl 4-bromo-2-fluoro-3-methoxybenzoate
PC1024587	Methyl 2-chloro-4-fluoro-3-methoxybenzoate
PC1022062-01	Methyl 2-chloro-5-fluoro-4-methoxybenzoate
PC52075-01	Methyl 4-amino-5-fluoro-2-methoxybenzoate

Catalog	Name
454945-01	Methyl 2-fluoro-4-methoxybenzoate
455239-01	Methyl 3-fluoro-4-methoxybenzoate
KHD05699-01	Methyl 5- (chlorosulfonyl) -2-fluoro-4-methoxybenzoate
JTB95318-01	Methyl 4-bromo-5-fluoro-2-methoxybenzoate
SID36215-01	Methyl 2-amino-4-fluoro-3-methoxybenzoate
455712-01	Methyl 5-fluoro-2-methoxybenzoate
454957-01	Methyl 2-Fluoro-6-methoxybenzoate
454937-01	Methyl 2-fluoro-3-methoxybenzoate
455232-01	Methyl 3-fluoro-2-methoxybenzoate
FXB49748-01	Methyl 2-amino-3-fluoro-4-methoxybenzoate