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4-Fluorohippuric Acid - 98% , high purity , CAS No.366-79-0

COA

Grade & Purity:

≥98%

Cas Number: 366-79-0
Molecular Weight: 197.17
MDL number: MFCD00462263
PubChem CID: 699341
PubChem SID: 504759925

In stock

Item Number

F404478

Grouped product items
SKU	Size	Availability	Price	Qty
F404478-200mg	200mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$89.90
F404478-1g	1g	3	$343.90

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Bioactive compounds (12)

Basic Description

Synonyms	4-Fluorohippuric acid, analytical standard \| 3J-330S \| 2-(4-Fluorobenzamido)aceticacid \| STL140667 \| AKOS000114595 \| DTXSID30351395 \| n-(4-fluorobenzoyl)glycine \| 4-fluorohippuric acid \| 4-fluoro-hippuric acid \| 2-[(4-fluorophenyl)formamido]acetic acid \|
Specifications & Purity	≥98%
Product Description	Maximum Absorption Wavelength:234(EtOH)nm

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzamides
        Level6 Hippuric acids and derivatives
        Level7 Hippuric acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzamides - Hippuric acids and derivatives
Direct Parent	Hippuric acids
Alternative Parents	N-acyl-alpha amino acids 4-halobenzoic acids and derivatives Benzoyl derivatives Fluorobenzenes Aryl fluorides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504759925
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759925
IUPAC Name	2-[(4-fluorobenzoyl)amino]acetic acid
INCHI	InChI=1S/C9H8FNO3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
InChIKey	NVWXSGQHHUSSOU-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C(=O)NCC(=O)O)F
Isomeric SMILES	C1=CC(=CC=C1C(=O)NCC(=O)O)F
Molecular Weight	197.17
Reaxy-Rn	3286088
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3286088&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
J2219482	Certificate of Analysis	Aug 10, 2022	F404478
J2219502	Certificate of Analysis	Aug 10, 2022	F404478
C2528161	Certificate of Analysis	Aug 10, 2022	F404478

Chemical and Physical Properties

Melt Point(°C)	173 °C
Molecular Weight	197.160 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	197.049 Da
Monoisotopic Mass	197.049 Da
Topological Polar Surface Area	66.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	224.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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