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2-(2，4-Difluorophenyl)prop-2-en-1-ol - ≥95%, high purity , CAS No.141113-36-2

COA

Grade & Purity:

≥95%

Cas Number: 141113-36-2
Molecular Weight: 170.16
PubChem CID: 10986686

In stock

Item Number

P725338

Grouped product items
SKU	Size	Availability	Price	Qty
P725338-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,128.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Styrenes
Intermediate Tree Nodes	Not available
Direct Parent	Styrenes
Alternative Parents	Fluorobenzenes Aryl fluorides Primary alcohols Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Styrene - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organofluoride - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene 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	2-(2,4-difluorophenyl)prop-2-en-1-ol
INCHI	InChI=1S/C9H8F2O/c1-6(5-12)8-3-2-7(10)4-9(8)11/h2-4,12H,1,5H2
InChIKey	JONDTFNGQQZTDO-UHFFFAOYSA-N
Smiles	C=C(CO)C1=C(C=C(C=C1)F)F
Isomeric SMILES	C=C(CO)C1=C(C=C(C=C1)F)F
Alternate CAS	141113-36-2
PubChem CID	10986686
Molecular Weight	170.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	170.160 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	170.054 Da
Monoisotopic Mass	170.054 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	170.000
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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