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trans-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid - 96%, high purity , CAS No.16633-45-7
Basic Description
Synonyms
16633-45-7 | (1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic Acid | rac-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid, trans | Rel-(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid | trans-2-(3-Chlorophenyl)cyclopropanecarboxylic Acid | SCHEMB
Specifications & Purity
≥96%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
Cyclopropanecarboxylic acids Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Chlorobenzene - Aryl chloride - Aryl halide - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organochloride - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
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
(1R,2R)-2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
INCHI
InChI=1S/C10H9ClO2/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)/t8-,9+/m0/s1
InChIKey
YGWYJGWUNQIPPV-DTWKUNHWSA-N
Smiles
C1C(C1C(=O)O)C2=CC(=CC=C2)Cl
Isomeric SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC(=CC=C2)Cl
PubChem CID
11206387
Molecular Weight
196.63
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
196.630 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
196.029 Da
Monoisotopic Mass
196.029 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
217.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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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