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3-[4-(Ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoic acid - 97%, high purity , CAS No.1261909-44-7

COA

Grade & Purity:

≥97%

Cas Number: 1261909-44-7
Molecular Weight: 305.3
PubChem CID: 53228379

In stock

Item Number

E180848

Grouped product items
SKU	Size	Availability	Price	Qty
E180848-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,690.90
E180848-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,750.90

Discover 3-[4-(Ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoic acid by Aladdin Scientific in 97% for only $1,690.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1261909-44-7 \| 4'-(Ethylcarbamoyl)-3',6-difluoro-[1,1'-biphenyl]-3-carboxylic acid \| 3-[4-(ETHYLCARBAMOYL)-3-FLUOROPHENYL]-4-FLUOROBENZOIC ACID \| DTXSID00691912 \| 4'-(Ethylcarbamoyl)-3',6-difluoro-[1,1'-biphenyl]-3-carboxylicacid \| MFCD18322560 \| AKOS016008422 \| BS-201
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenyls and derivatives
Alternative Parents	2-halobenzoic acids and derivatives 4-halobenzoic acids Halobenzoic acids Benzamides Benzoic acids Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Secondary carboxylic acid amides Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Organooxygen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenyl - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid or derivatives - Benzamide - Benzoic acid - Benzoyl - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C 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	3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoic acid
INCHI	InChI=1S/C16H13F2NO3/c1-2-19-15(20)11-5-3-9(8-14(11)18)12-7-10(16(21)22)4-6-13(12)17/h3-8H,2H2,1H3,(H,19,20)(H,21,22)
InChIKey	ZBCMEMCAMPNWSE-UHFFFAOYSA-N
Smiles	CCNC(=O)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C(=O)O)F)F
Isomeric SMILES	CCNC(=O)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C(=O)O)F)F
PubChem CID	53228379
Molecular Weight	305.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	305.280 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	305.086 Da
Monoisotopic Mass	305.086 Da
Topological Polar Surface Area	66.400 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	418.000
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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