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2-Fluoro-4-morpholinobenzoic Acid - ≥97%, high purity , CAS No.946598-40-9

COA

Grade & Purity:

≥97%

Cas Number: 946598-40-9
Molecular Weight: 225.22
PubChem CID: 53393439

In stock

Item Number

F733386

Grouped product items
SKU	Size	Availability	Price
F733386-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$85.90
F733386-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$117.90
F733386-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$291.90
F733386-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,121.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxazinanes
    - Subclass Morpholines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxazinanes
Subclass	Morpholines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmorpholines
Alternative Parents	2-halobenzoic acids Aminobenzoic acids Halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Amino acids Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organofluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylmorpholine - Aminobenzoic acid - Aminobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid or derivatives - Benzoic acid - Tertiary aliphatic/aromatic amine - 1-carboxy-2-haloaromatic compound - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl fluoride - Benzenoid - Aryl halide - Vinylogous halide - Amino acid or derivatives - Amino acid - Tertiary amine - Oxacycle - Azacycle - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Amine - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
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

IUPAC Name	2-fluoro-4-morpholin-4-ylbenzoic acid
INCHI	InChI=1S/C11H12FNO3/c12-10-7-8(1-2-9(10)11(14)15)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,14,15)
InChIKey	NEWHCWSPQLPAIR-UHFFFAOYSA-N
Smiles	C1COCCN1C2=CC(=C(C=C2)C(=O)O)F
Isomeric SMILES	C1COCCN1C2=CC(=C(C=C2)C(=O)O)F
Alternate CAS	946598-40-9
PubChem CID	53393439
Molecular Weight	225.22

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	225.220 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	225.08 Da
Monoisotopic Mass	225.08 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	256.000
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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