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1-(Trifluoromethyl)cyclohexane-1-carboxylic acid - 97%, high purity , CAS No.180918-40-5
Discover 1-(Trifluoromethyl)cyclohexane-1-carboxylic acid by Aladdin Scientific in 97% for only $91.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
AB91374 | FT-0651090 | EN300-88143 | MFCD08445820 | 1-(Trifluoromethyl)cyclohexane-1-carboxylic acid | BBL100622 | J-503683 | 1-(Trifluoromethyl)cyclohexane-1-carboxylic acid, 97% | Cyclohexanecarboxylic acid, 1-(trifluoromethyl)- | 1-Trifluoromethyl-cycl
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 homomonocyclic 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 homomonocyclic 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
1-(trifluoromethyl)cyclohexane-1-carboxylic acid
INCHI
InChI=1S/C8H11F3O2/c9-8(10,11)7(6(12)13)4-2-1-3-5-7/h1-5H2,(H,12,13)
InChIKey
VFSFTDFBHSFDEE-UHFFFAOYSA-N
Smiles
C1CCC(CC1)(C(=O)O)C(F)(F)F
Isomeric SMILES
C1CCC(CC1)(C(=O)O)C(F)(F)F
WGK Germany
3
PubChem CID
15507524
Molecular Weight
196.17
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
196.170 g/mol
XLogP3
2.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
196.071 Da
Monoisotopic Mass
196.071 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
204.000
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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