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1-(5-bromopyridin-3-yl)cyclopropane-1-carboxylic acid - 97%, high purity , CAS No.1256038-40-0
Discover 1-(5-bromopyridin-3-yl)cyclopropane-1-carboxylic acid by Aladdin Scientific in 97% for only $891.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1-(5-BROMOPYRIDIN-3-YL)CYCLOPROPANE-1-CARBOXYLIC ACID | 1256038-40-0 | 1-(5-BROMOPYRIDIN-3-YL)CYCLOPROPANECARBOXYLIC ACID | 1255871-41-0 | 1-(5-bromo-3-pyridinyl)cyclopropanecarboxylic acid | MFCD18249881 | Cyclopropanecarboxylic acid, 1-(5-bromo-3-pyridinyl)- | SCHEMB
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridines and derivatives
Alternative Parents
Cyclopropanecarboxylic acids Aryl bromides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl bromide - Aryl halide - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
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-(5-bromopyridin-3-yl)cyclopropane-1-carboxylic acid
INCHI
InChI=1S/C9H8BrNO2/c10-7-3-6(4-11-5-7)9(1-2-9)8(12)13/h3-5H,1-2H2,(H,12,13)
InChIKey
IWOCHOGYZNRHGW-UHFFFAOYSA-N
Smiles
C1CC1(C2=CC(=CN=C2)Br)C(=O)O
Isomeric SMILES
C1CC1(C2=CC(=CN=C2)Br)C(=O)O
Molecular Weight
242.072
Reaxy-Rn
23296592
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23296592&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
242.070 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
240.974 Da
Monoisotopic Mass
240.974 Da
Topological Polar Surface Area
50.200 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
228.000
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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