3-Fluoro-4-Nitrobenzoic Acid

CAT: 1299-RG-F011300-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-F011300-01Size:10 mg

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CAS Number

403-21-4

Synonyms

3-fluoro-4-nitrobenzenecarboxylic acid

Molecular Formula

C7H4FNO4

Molecular Weight

185.11

Product Name Synonym

3-fluoro-4-nitrobenzenecarboxylic acid

Chemical Information

3-Fluoro-4-nitrobenzoic acid

CAS Number	403-21-4
PubChem CID	230653
IUPAC Name	3-fluoro-4-nitrobenzoic acid
Molecular Formula	C7H4FNO4
Molecular Weight	185.11
XLogP	1.9
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	227

SMILES

C1=CC(=C(C=C1C(=O)O)F)[N+](=O)[O-]

InChI

InChI=1S/C7H4FNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)

InChIKey

WVZBIQSKLXJFNX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 403-21-4

CID: 230653

Formula: C7H4FNO4

MW: 185.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.11
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	185.01243577
Monoisotopic Mass	185.01243577
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	227
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
RG-H251802-01	3-Hydroxy-4-Nitrobenzoic Acid
RG-M052018-01	4-Methyl-3-Nitrobenzoic Acid
RG-E141764-01	3-bromo-2-fluoro-6-nitrobenzoic acid
RG-A263401-01	3-Nitrobenzoic Acid
RG-H250474-01	4-Hydroxy-3-Methoxy-5-Nitrobenzoic Acid
RG-B181592-01	2-bromo-4-nitrobenzoic acid
RG-M202505-01	4- (Methylamino) -2-Nitrobenzoic Acid
RG-M200877-01	2-Methyl-3-Nitrobenzoic Acid
RG-A262138-01	3- (Methoxycarbonyl) -5-Nitrobenzoic Acid
RG-E141706-01	2- ((4-ethoxyphenyl) amino) -4-nitrobenzoic acid

Catalog	Name
FF70536-01	3-Fluoro-4-nitrobenzoic acid
276319-01	4-Fluoro-3-nitrobenzoic acid
F03625-01	4-Fluoro-3-nitrobenzoic acid 98%
FF01658	2-Fluoro-4-nitrobenzoic acid
432311-01	4-Fluoro-2-nitrobenzoic acid
PC100256-01	3-Chloro-4-fluoro-5-nitrobenzoic acid
PC502390-01	3-Fluoro-4-methoxy-5-nitrobenzoic acid
ZZB53165-01	4-Bromo-3-fluoro-5-nitrobenzoic acid
424299-01	3-Bromo-4-fluoro-5-nitrobenzoic Acid
PC102011	4-Fluoro-2-methyl-3-nitrobenzoic acid