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2-(chloromethyl)-5-fluoropyrimidine hydrochloride - 97%, high purity , CAS No.2052356-33-7
Discover 2-(chloromethyl)-5-fluoropyrimidine hydrochloride by Aladdin Scientific in 97% for only $1,097.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-(Chloromethyl)-5-fluoropyrimidine hydrochloride | 2052356-33-7 | 2-(Chloromethyl)-5-fluoropyrimidine HCl | 2-Chloromethyl-5-fluoropyrimidine hydrochloride | 2-(chloromethyl)-5-fluoropyrimidine;hydrochloride | Pyrimidine, 2-(chloromethyl)-5-fluoro-, hydrochloride
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Halopyrimidines
Alternative Parents
Heteroaromatic compounds Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Fluoroalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halopyrimidine - Heteroaromatic compound - Azacycle - Fluoroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl fluoride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
2-(chloromethyl)-5-fluoropyrimidine;hydrochloride
INCHI
InChI=1S/C5H4ClFN2.ClH/c6-1-5-8-2-4(7)3-9-5;/h2-3H,1H2;1H
InChIKey
MNXGMZCHQDGWOX-UHFFFAOYSA-N
Smiles
C1=C(C=NC(=N1)CCl)F.Cl
Isomeric SMILES
C1=C(C=NC(=N1)CCl)F.Cl
PubChem CID
126843032
Molecular Weight
183.01
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
183.010 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
181.981 Da
Monoisotopic Mass
181.981 Da
Topological Polar Surface Area
25.800 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
83.000
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
2
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