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1-(2-Bromo-4-nitrophenyl)-4-hydroxypiperidine - 96%, high purity , CAS No.1072944-61-6
Basic Description
Synonyms
1072944-61-6 | 1-(2-Bromo-4-nitrophenyl)piperidin-4-ol | 1-(2-BROMO-4-NITROPHENYL)-4-HYDROXYPIPERIDINE | DTXSID10674791 | XSB94461 | MFCD11039803 | AKOS010988978 | BS-22611 | CS-0440392
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Phenylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpiperidines
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Dialkylarylamines 2-bromoanilines Bromobenzenes Aryl bromides Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperidine - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - 2-bromoaniline - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Secondary alcohol - Tertiary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organohalogen compound - Amine - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
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-(2-bromo-4-nitrophenyl)piperidin-4-ol
INCHI
InChI=1S/C11H13BrN2O3/c12-10-7-8(14(16)17)1-2-11(10)13-5-3-9(15)4-6-13/h1-2,7,9,15H,3-6H2
InChIKey
YOMKNXAARQAXFZ-UHFFFAOYSA-N
Smiles
C1CN(CCC1O)C2=C(C=C(C=C2)[N+](=O)[O-])Br
Isomeric SMILES
C1CN(CCC1O)C2=C(C=C(C=C2)[N+](=O)[O-])Br
PubChem CID
46739165
Molecular Weight
301.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
301.140 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
300.011 Da
Monoisotopic Mass
300.011 Da
Topological Polar Surface Area
69.300 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
276.000
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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