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2-Fluoro-4-isopropoxyaniline, HCl - 98%, high purity , CAS No.850568-35-3
Basic Description
Synonyms
850568-35-3 | 2-FLUORO-4-ISOPROPOXYANILINE HYDROCHLORIDE | 2-Fluoro-4-isopropoxyaniline, HCl | 2-fluoro-4-propan-2-yloxyaniline;hydrochloride | SCHEMBL3378517 | DTXSID10661202 | MFCD01632192 | AKOS015910023 | AB09448 | BS-25901 | 2-Fluoro-4-isopropoxyaniline,hydrochloride | CS
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Aminophenyl ethers
Intermediate Tree Nodes
Not available
Direct Parent
Aminophenyl ethers
Alternative Parents
Phenoxy compounds Aniline and substituted anilines Fluorobenzenes Alkyl aryl ethers Aryl fluorides Primary amines Organofluorides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Ether - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organooxygen compound - Primary amine - Hydrochloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine 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
2-fluoro-4-propan-2-yloxyaniline;hydrochloride
INCHI
InChI=1S/C9H12FNO.ClH/c1-6(2)12-7-3-4-9(11)8(10)5-7;/h3-6H,11H2,1-2H3;1H
InChIKey
OWTZAMYNRDYUMX-UHFFFAOYSA-N
Smiles
CC(C)OC1=CC(=C(C=C1)N)F.Cl
Isomeric SMILES
CC(C)OC1=CC(=C(C=C1)N)F.Cl
PubChem CID
44886914
Molecular Weight
205.7
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
205.660 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
205.067 Da
Monoisotopic Mass
205.067 Da
Topological Polar Surface Area
35.300 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
140.000
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
2
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