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2-(3-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone - 97%, high purity , CAS No.951884-73-4
Basic Description
Synonyms
2-(3-Bromophenyl)-1-(pyrrolidin-1-yl)ethanone | 951884-73-4 | 2-(3-Bromophenyl)-1-(pyrrolidin-1-yl)ethan-1-one | 2-(3-bromophenyl)-1-pyrrolidin-1-ylethanone | 1-[(3-Bromophenyl)acetyl]pyrrolidine | SCHEMBL3419983 | DTXSID60650085 | BNB88473 | MFCD09800919 | AKOS011897352 | P
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylacetamides
Intermediate Tree Nodes
Not available
Direct Parent
Phenylacetamides
Alternative Parents
N-acylpyrrolidines Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylacetamide - N-acylpyrrolidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
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
2-(3-bromophenyl)-1-pyrrolidin-1-ylethanone
INCHI
InChI=1S/C12H14BrNO/c13-11-5-3-4-10(8-11)9-12(15)14-6-1-2-7-14/h3-5,8H,1-2,6-7,9H2
InChIKey
FAWHDSQLJDVROW-UHFFFAOYSA-N
Smiles
C1CCN(C1)C(=O)CC2=CC(=CC=C2)Br
Isomeric SMILES
C1CCN(C1)C(=O)CC2=CC(=CC=C2)Br
Molecular Weight
268.2
Reaxy-Rn
20255929
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20255929&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
268.150 g/mol
XLogP3
2.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
267.026 Da
Monoisotopic Mass
267.026 Da
Topological Polar Surface Area
20.300 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
226.000
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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