3-Fluoro-2-hydroxy-4-methoxybenzoic acid

CAT: 0127-PC1001636-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1001636-01Size:100 mg

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CAS Number

1784962-35-1

MDL Number

MFCD28554880

Purity

98%

Smiles

COC1=CC=C(C(O)=O)C(O)=C1F

Chemical Information

3-Fluoro-2-hydroxy-4-methoxybenzoic acid

CAS Number	1784962-35-1
PubChem CID	84769935
IUPAC Name	3-fluoro-2-hydroxy-4-methoxybenzoic acid
Molecular Formula	C8H7FO4
Molecular Weight	186.14
XLogP	2
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	197

SMILES

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

InChI

InChI=1S/C8H7FO4/c1-13-5-3-2-4(8(11)12)7(10)6(5)9/h2-3,10H,1H3,(H,11,12)

InChIKey

GWHFANQHLUQEPI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1784962-35-1

CID: 84769935

Formula: C8H7FO4

MW: 186.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.14
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	186.03283686
Monoisotopic Mass	186.03283686
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	197
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
PC1023434	2-Fluoro-3-hydroxy-4-methoxybenzoic acid
PC1012835-01	2-Fluoro-6-hydroxy-4-methoxybenzoic acid
PC1021931	3-Fluoro-4-hydroxy-5-methoxybenzoic acid
BUP18980	2-Hydroxy-4-methoxybenzoic acid
OR14335-01	2-Hydroxy-4-methoxybenzoic acid
OR8922-01	4-Hydroxy-2-methoxybenzoic acid
PC1012056-01	6-fluoro-2-hydroxy-3-methoxybenzoic acid
PC1023509-01	2-fluoro-6-hydroxy-3-methoxybenzoic acid
PC8209-01	4-Fluoro-2-methoxybenzoic acid
PC8207-01	2-Fluoro-4-methoxybenzoic acid

Catalog	Name
417791	2-Fluoro-4-hydroxy-5-methoxybenzoic Acid
AL BE 0900-01	3-fluoro-4-hydroxy-5-methoxybenzoic acid
TRC-F597933-500MG	2-Fluoro-4-hydroxy-5-methoxybenzoic Acid
276624-01	4-Fluoro-2-methoxybenzoic acid
417816-01	2-Fluoro-4-methoxybenzoic acid
FF66821-01	4-Fluoro-3-methoxybenzoic acid
sc-254473	3-Fluoro-4-methoxybenzoic acid
HY-75625-01	2-Hydroxy-4-methoxybenzoic acid
QDA11134-01	4-Hydroxy-2-methoxybenzoic acid
425962-01	3-Hydroxy-4-methoxybenzoic acid