Products for Research Use Only
RegisterLogin

Methyl 4-fluoro-2-hydroxy-5-nitrobenzoate

CAT: 0127-PC1005981Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-PC1005981Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2090627-88-4
Purity
98%
Smiles
OC1=CC(F)=C([N+]([O-])=O)C=C1C(OC)=O

Chemical Information

Methyl 4-fluoro-2-hydroxy-5-nitrobenzoate
CAS Number2090627-88-4
PubChem CID131440154
IUPAC Namemethyl 4-fluoro-2-hydroxy-5-nitrobenzoate
Molecular FormulaC8H6FNO5
Molecular Weight215.13
XLogP1.9
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity266
SMILES
COC(=O)C1=CC(=C(C=C1O)F)[N+](=O)[O-]
InChI
InChI=1S/C8H6FNO5/c1-15-8(12)4-2-6(10(13)14)5(9)3-7(4)11/h2-3,11H,1H3
InChIKey
KFNVLRGBXZZUST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 4-fluoro-2-hydroxy-5-nitrobenzoate
CAS: 2090627-88-4
CID: 131440154
Formula: C8H6FNO5
MW: 215.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.13
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass215.02300045
Monoisotopic Mass215.02300045
Topological Polar Surface Area92.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity266
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
PC100164-01Methyl 4-fluoro-5-hydroxy-2-nitrobenzoate
PC53513-01Methyl 2-fluoro-4-hydroxy-5-nitrobenzoate
PC102683-01Methyl 5-fluoro-4-hydroxy-2-nitrobenzoate
PC100565-01Methyl 2-fluoro-5-hydroxy-4-nitrobenzoate
PC502068-01Methyl 3-fluoro-4-hydroxy-5-nitrobenzoate
PC501171-01Methyl 5-fluoro-2-hydroxy-3-nitrobenzoate
PC101455-01Methyl 4-fluoro-2-hydroxy-3-nitrobenzoate
PC101303-01Methyl 2-fluoro-5-methyl-4-nitrobenzoate
PC32909-01Methyl 2-fluoro-4-methyl-5-nitrobenzoate
PC110457Methyl 5-fluoro-2-methyl-4-nitrobenzoate

Alternative Products

CatalogName
455526-01Methyl 4-fluoro-5-hydroxy-2-nitrobenzoate
sc-482173Methyl 4-fluoro-2-methyl-5-nitrobenzoate
DFB92448Methyl 2-fluoro-4-methyl-5-nitrobenzoate
sc-263670AMethyl 5-fluoro-2-nitrobenzoate
454954-01Methyl 2-fluoro-5-nitrobenzoate
455726-01Methyl 5-hydroxy-2-nitrobenzoate
454947-01Methyl 2-fluoro-4-nitrobenzoate
XJB87150-01Methyl 4-amino-2-fluoro-5-nitrobenzoate
sc-506934Methyl 4-fluoro-2- (methoxymethyl) -5-nitrobenzoate
RG-E140480-01Methyl 2-hydroxy-4-nitrobenzoate

Popular Products