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(2R，3R)-2-(2，4-Difluorophenyl)-1-(1H-1，2，4-triazol-1-yl)butane-2，3-diol with methanesulfonate - ≥97%, high purity , CAS No.1175536-50-1

COA

Grade & Purity:

≥97%

Cas Number: 1175536-50-1
Molecular Weight: 365.36
EC Number: 815-196-0
PubChem CID: 112500554

In stock

Item Number

B770291

Grouped product items
SKU	Size	Availability	Price
B770291-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
B770291-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90
B770291-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$96.90
B770291-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$190.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Room temperature,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Fluorobenzenes Aryl fluorides Triazoles Tertiary alcohols Sulfonyls Organosulfonic acids Alkanesulfonic acids Methanesulfonates Heteroaromatic compounds Secondary alcohols 1,2-diols Azacyclic compounds Organic oxides Organopnictogen compounds Organofluorides Aromatic alcohols Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Not available
Substituents	Phenylpropane - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Azole - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary alcohol - 1,2,4-triazole - Alkanesulfonic acid - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Aromatic alcohol - Alcohol - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane 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	(2R,3R)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butane-2,3-diol;methanesulfonic acid
INCHI	InChI=1S/C12H13F2N3O2.CH4O3S/c1-8(18)12(19,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14;1-5(2,3)4/h2-4,6-8,18-19H,5H2,1H3;1H3,(H,2,3,4)/t8-,12-;/m1./s1
InChIKey	RWPFLARVZWFRBO-DAIXLEOSSA-N
Smiles	CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)O.CS(=O)(=O)O
Isomeric SMILES	C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)O.CS(=O)(=O)O
Alternate CAS	1175536-50-1
PubChem CID	112500554
Molecular Weight	365.36

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	365.360 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	365.086 Da
Monoisotopic Mass	365.086 Da
Topological Polar Surface Area	134.000 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	403.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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	2

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