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(5-(3-Chlorophenyl)oxazol-4-yl)methanol - 98%, high purity , CAS No.1020252-88-3
Discover (5-(3-Chlorophenyl)oxazol-4-yl)methanol by Aladdin Scientific in 98% for only $1,175.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
(5-(3-CHLOROPHENYL)OXAZOL-4-YL)METHANOL | 1020252-88-3 | [5-(3-Chlorophenyl)-1,3-oxazol-4-yl]methanol | DTXSID60674347 | VQB25288 | MFCD09972143 | AKOS015849000 | 4-Oxazolemethanol, 5-(3-chlorophenyl)- | BS-19158 | (5-(3-chlorophenyl)oxazole-4-yl)methanol | CS-0212572
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenyl-1,3-oxazoles
Alternative Parents
Chlorobenzenes 4,5-disubstituted oxazoles Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,3-oxazole - 4,5-disubstituted 1,3-oxazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic alcohol - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Primary alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
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
[5-(3-chlorophenyl)-1,3-oxazol-4-yl]methanol
INCHI
InChI=1S/C10H8ClNO2/c11-8-3-1-2-7(4-8)10-9(5-13)12-6-14-10/h1-4,6,13H,5H2
InChIKey
MAIWQXMACJPOBD-UHFFFAOYSA-N
Smiles
C1=CC(=CC(=C1)Cl)C2=C(N=CO2)CO
Isomeric SMILES
C1=CC(=CC(=C1)Cl)C2=C(N=CO2)CO
Molecular Weight
209.6
Reaxy-Rn
59753683
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=59753683&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
209.630 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
209.024 Da
Monoisotopic Mass
209.024 Da
Topological Polar Surface Area
46.300 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
191.000
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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