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cis-tert-butyl 3-(4-fluorobenzoyl)cyclobytylcarbamate - 97%, high purity , CAS No.1630907-38-8
Discover cis-tert-butyl 3-(4-fluorobenzoyl)cyclobytylcarbamate by Aladdin Scientific in 97% for only $1,635.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1630906-41-0 | 1630907-38-8 | trans-tert-Butyl 3-(4-fluorobenzoyl)cyclobutylcarbamate | cis-tert-Butyl 3-(4-fluorobenzoyl)cyclobutylcarbamate | cis-tert-butyl 3-(4-fluorobenzoyl)cyclobytylcarbamate | trans-tert-butyl 3-(4-fluorobenzoyl)cyclobytylcarbamate | MFCD28166
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Carbamate esters Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Halobenzene - Fluorobenzene - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Carbamic acid ester - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and 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
tert-butyl N-[3-(4-fluorobenzoyl)cyclobutyl]carbamate
INCHI
InChI=1S/C16H20FNO3/c1-16(2,3)21-15(20)18-13-8-11(9-13)14(19)10-4-6-12(17)7-5-10/h4-7,11,13H,8-9H2,1-3H3,(H,18,20)
InChIKey
APFGZZXOBITWER-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)NC1CC(C1)C(=O)C2=CC=C(C=C2)F
Isomeric SMILES
CC(C)(C)OC(=O)NC1CC(C1)C(=O)C2=CC=C(C=C2)F
PubChem CID
91800968
Molecular Weight
293.338
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
293.330 g/mol
XLogP3
2.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
293.143 Da
Monoisotopic Mass
293.143 Da
Topological Polar Surface Area
55.400 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
391.000
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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