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2-Bromoacrylic acid - 95%, high purity , CAS No.10443-65-9
Basic Description
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Alpha-halocarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Alpha-halocarboxylic acids
Alternative Parents
Vinyl bromides Monocarboxylic acids and derivatives Carboxylic acids Bromoalkenes Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Alpha-halocarboxylic acid - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-bromoprop-2-enoic acid
INCHI
InChI=1S/C3H3BrO2/c1-2(4)3(5)6/h1H2,(H,5,6)
InChIKey
HMENQNSSJFLQOP-UHFFFAOYSA-N
Smiles
C=C(C(=O)O)Br
Isomeric SMILES
C=C(C(=O)O)Br
Alternate CAS
10443-65-9
PubChem CID
82633
NSC Number
227848
Molecular Weight
150.96
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
150.960 g/mol
XLogP3
1.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
149.932 Da
Monoisotopic Mass
149.932 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
86.800
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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E2408083