Methyl 4-fluoro-3-hydroxybenzoate

CAT: 0127-PC5221-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC5221-01Size:5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

214822-96-5

Synonyms

2-Fluoro-5- (methoxycarbonyl) phenol

MDL Number

MFCD06797457

Purity

98%

Smiles

COC(=O)c1ccc(F)c(O)c1

Chemical Information

4-Fluoro-3-hydroxy-benzoic acid methyl ester

CAS Number	214822-96-5
PubChem CID	12016892
IUPAC Name	methyl 4-fluoro-3-hydroxybenzoate
Molecular Formula	C8H7FO3
Molecular Weight	170.14
XLogP	1.5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

COC(=O)C1=CC(=C(C=C1)F)O

InChI

InChI=1S/C8H7FO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3

InChIKey

CUGWNEOTLGLGDG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 214822-96-5

CID: 12016892

Formula: C8H7FO3

MW: 170.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.14
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	170.03792224
Monoisotopic Mass	170.03792224
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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
PC448027-01	Methyl 3-Fluoro-4-hydroxybenzoate
PC53247-01	Methyl 2-fluoro-4-hydroxybenzoate
PC4187-01	Methyl 4-fluoro-2-hydroxybenzoate
PC502069-01	Methyl 3-amino-5-fluoro-4-hydroxybenzoate
PC103438-01	Methyl 4-bromo-2-fluoro-3-hydroxybenzoate
PC1024087-01	Methyl 3-bromo-4-fluoro-5-hydroxybenzoate
PC48605-01	Methyl 4-bromo-3-fluoro-2-hydroxybenzoate
PC501753	Methyl 3-bromo-4-fluoro-2-hydroxybenzoate
PC502067	Methyl 3-bromo-5-fluoro-4-hydroxybenzoate
PC1021480-01	Methyl 3-chloro-5-fluoro-4-hydroxybenzoate

Catalog	Name
sc-301052	Methyl 3-fluoro-4-hydroxybenzoate
sc-263634A	Methyl 4-fluoro-3-hydroxybenzoate
FM64257-01	Methyl 2-fluoro-4-hydroxybenzoate
455517-01	Methyl 4-Fluoro-2-hydroxybenzoate
AL BF 0031-01	Methyl 3-fluoro-2-hydroxybenzoate
455244-01	Methyl 3-fluoro-5-hydroxybenzoate
164917	Methyl 4-Methyl-3-hydroxybenzoate
TRC-M312555-500MG	Methyl 5-Acetyl-2-Fluoro-4-hydroxybenzoate
NUB04961-01	Methyl 2-amino-4-fluoro-5-hydroxybenzoate
GWC06107-01	Methyl 5-amino-2-fluoro-4-hydroxybenzoate