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4-fluorobicyclo[2.2.2]octane-1-carboxylic acid - 97%, high purity , CAS No.78385-84-9
Discover 4-fluorobicyclo[2.2.2]octane-1-carboxylic acid by Aladdin Scientific in 97% for only $2,335.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-fluorobicyclo[2.2.2]octane-1-carboxylic acid | 78385-84-9 | MFCD20638766 | SCHEMBL3929521 | AKOS025291368 | AS-51500 | SY042384 | CS-0050848 | 4-fluorobicyclo[2.2.2]octane-1-carboxylicacid | EN300-106450 | P12807 | A865044 | Z1262513006
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acids
Intermediate Tree Nodes
Not available
Direct Parent
Carboxylic acids
Alternative Parents
Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
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
4-fluorobicyclo[2.2.2]octane-1-carboxylic acid
INCHI
InChI=1S/C9H13FO2/c10-9-4-1-8(2-5-9,3-6-9)7(11)12/h1-6H2,(H,11,12)
InChIKey
CCOTVPAWNHYJSJ-UHFFFAOYSA-N
Smiles
C1CC2(CCC1(CC2)C(=O)O)F
Isomeric SMILES
C1CC2(CCC1(CC2)C(=O)O)F
Molecular Weight
172.199
Reaxy-Rn
4667253
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4667253&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
172.200 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
172.09 Da
Monoisotopic Mass
172.09 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
200.000
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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