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tert-Butyl 4-(2-fluoro-4-nitrophenoxy)piperidine-1-carboxylate - 95%, high purity
Basic Description
Synonyms
250371-88-1 | tert-Butyl 4-(2-fluoro-4-nitrophenoxy)piperidine-1-carboxylate | 1-(4-Boc-piperidinyl-1-oxy)-2-fluoro-4-nitrobenzene | SCHEMBL2255441 | DTXSID90476538 | ZYMMCZDHFJZAEQ-UHFFFAOYSA-N | tert-Butyl4-(2-fluoro-4-nitrophenoxy)piperidine-1-carboxylate | tert-But
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrophenyl ethers
Alternative Parents
Piperidinecarboxylic acids Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Fluorobenzenes Aryl fluorides Carbamate esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organofluorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrophenyl ether - Piperidinecarboxylic acid - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Piperidine - Carbamic acid ester - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Ether - Azacycle - Organic oxoazanium - Organic salt - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
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
tert-butyl 4-(2-fluoro-4-nitrophenoxy)piperidine-1-carboxylate
INCHI
InChI=1S/C16H21FN2O5/c1-16(2,3)24-15(20)18-8-6-12(7-9-18)23-14-5-4-11(19(21)22)10-13(14)17/h4-5,10,12H,6-9H2,1-3H3
InChIKey
ZYMMCZDHFJZAEQ-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCC(CC1)OC2=C(C=C(C=C2)[N+](=O)[O-])F
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
340.350 g/mol
XLogP3
3.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
4
Exact Mass
340.143 Da
Monoisotopic Mass
340.143 Da
Topological Polar Surface Area
84.600 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
454.000
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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