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7-(Trifluoromethyl)chroman-4-one - ≥97%, high purity , CAS No.111141-02-7

COA

Grade & Purity:

≥97%

Cas Number: 111141-02-7
Molecular Weight: 216.16
PubChem CID: 13953821

In stock

Item Number

C727759

Grouped product items
SKU	Size	Availability	Price
C727759-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90
C727759-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$65.90
C727759-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$185.90
C727759-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$798.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	Chromones
Alternative Parents	Aryl alkyl ketones Alkyl aryl ethers Benzenoids Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chromone - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Ketone - Oxacycle - Ether - Alkyl fluoride - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
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	7-(trifluoromethyl)-2,3-dihydrochromen-4-one
INCHI	InChI=1S/C10H7F3O2/c11-10(12,13)6-1-2-7-8(14)3-4-15-9(7)5-6/h1-2,5H,3-4H2
InChIKey	BDGGJAUEQDZWRC-UHFFFAOYSA-N
Smiles	C1COC2=C(C1=O)C=CC(=C2)C(F)(F)F
Isomeric SMILES	C1COC2=C(C1=O)C=CC(=C2)C(F)(F)F
PubChem CID	13953821
Molecular Weight	216.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	216.160 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	216.04 Da
Monoisotopic Mass	216.04 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	262.000
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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