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4-(3-fluorophenyl)tetrahydro-2H-pyran-4-carbonitrile - ≥90%, high purity , CAS No.1035261-79-0

COA

Grade & Purity:

≥90%

Cas Number: 1035261-79-0
Molecular Weight: 205.232
MDL number: MFCD10694448
PubChem CID: 43119033

In stock

Item Number

T769056

Grouped product items
SKU	Size	Availability	Price	Qty
T769056-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$320.90
T769056-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$823.90

Basic Description

Specifications & Purity	≥90%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Oxanes Aryl fluorides Oxacyclic compounds Nitriles Dialkyl ethers Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Fluorobenzene - Aryl fluoride - Aryl halide - Oxane - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organoheterocyclic compound - Oxacycle - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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	4-(3-fluorophenyl)oxane-4-carbonitrile
INCHI	InChI=1S/C12H12FNO/c13-11-3-1-2-10(8-11)12(9-14)4-6-15-7-5-12/h1-3,8H,4-7H2
InChIKey	ISKQMVJXZOBQJH-UHFFFAOYSA-N
Smiles	C1COCCC1(C#N)C2=CC(=CC=C2)F
Isomeric SMILES	C1COCCC1(C#N)C2=CC(=CC=C2)F
PubChem CID	43119033
Molecular Weight	205.232

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	205.230 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	205.09 Da
Monoisotopic Mass	205.09 Da
Topological Polar Surface Area	33.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	264.000
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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