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5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-one - 97%, high purity , CAS No.844648-22-2

COA

Grade & Purity:

≥97%

Cas Number: 844648-22-2
Molecular Weight: 184.14
MDL number: MFCD11518474
PubChem CID: 46835427

In stock

Item Number

D634643

Grouped product items
SKU	Size	Availability	Price	Qty
D634643-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$139.90
D634643-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$701.90

Basic Description

Synonyms	5,7-Difluoro-2,3-dihydro-4H-1-benzopyran-4-one \| MFCD11518474 \| DTXSID10676391 \| GS-6417 \| OJVRCPGUGZXUAP-UHFFFAOYSA-N \| FT-0757613 \| SCHEMBL1350215 \| AKOS005146466 \| Z1013753300 \| EN300-7413748 \| AC-30312 \| EX-A4595 \| I11399 \| SB18259 \| AM20041235 \| SY01
Specifications & Purity	≥97%
Shipped In	Normal

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 Aryl fluorides Vinylogous halides Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chromone - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aryl fluoride - Aryl halide - Benzenoid - Vinylogous halide - Ketone - Ether - Oxacycle - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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	5,7-difluoro-2,3-dihydrochromen-4-one
INCHI	InChI=1S/C9H6F2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4H,1-2H2
InChIKey	OJVRCPGUGZXUAP-UHFFFAOYSA-N
Smiles	C1COC2=C(C1=O)C(=CC(=C2)F)F
Isomeric SMILES	C1COC2=C(C1=O)C(=CC(=C2)F)F
Alternate CAS	844648-22-2
PubChem CID	46835427
Molecular Weight	184.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	184.140 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	184.034 Da
Monoisotopic Mass	184.034 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	220.000
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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