5-Fluoro-2-methoxy-4-nitrobenzoic acid

CAT: 0127-PC1007301-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1007301-01Size:50 mg

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CAS Number

2091054-41-8

Purity

95%

Smiles

O=C(O)C1=CC(F)=C([N+]([O-])=O)C=C1OC

Chemical Information

5-Fluoro-2-methoxy-4-nitrobenzoic acid

CAS Number	2091054-41-8
PubChem CID	131268454
IUPAC Name	5-fluoro-2-methoxy-4-nitrobenzoic acid
Molecular Formula	C8H6FNO5
Molecular Weight	215.13
XLogP	1.3
Topological Polar Surface Area	92.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	266

SMILES

COC1=CC(=C(C=C1C(=O)O)F)[N+](=O)[O-]

InChI

InChI=1S/C8H6FNO5/c1-15-7-3-6(10(13)14)5(9)2-4(7)8(11)12/h2-3H,1H3,(H,11,12)

InChIKey

CDJOPNSFJAHYEY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2091054-41-8

CID: 131268454

Formula: C8H6FNO5

MW: 215.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.13
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	215.02300045
Monoisotopic Mass	215.02300045
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	266
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
PC103554-01	4-Fluoro-5-methoxy-2-nitrobenzoic acid
PC99964-01	2-Fluoro-5-methoxy-4-nitrobenzoic acid
PC500435-01	2-Fluoro-4-methoxy-5-nitrobenzoic acid
PC502390-01	3-Fluoro-4-methoxy-5-nitrobenzoic acid
PC100831-01	3-Fluoro-5-methoxy-4-nitrobenzoic acid
PC99952-01	5-Fluoro-3-methoxy-2-nitrobenzoic acid
OR1060723-01	4-Methoxy-2-methyl-5-nitrobenzoic acid
OR84454-01	5-Methoxy-2-methyl-4-nitrobenzoic acid
OR510185	4-Hydroxy-5-methoxy-2-nitrobenzoic acid
OR54342-01	5-Hydroxy-4-methoxy-2-nitrobenzoic acid

Catalog	Name
ZXC28436-01	4-Fluoro-2-methoxy-5-nitrobenzoic acid
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TRC-M264830-5G	2-Methoxy-4-nitrobenzoic Acid
sc-262042	4-Methoxy-2-nitrobenzoic acid
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