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2-amino-4,6-difluorophenol , CAS No.133788-83-7
Basic Description
Synonyms
2-amino-4,6-difluorophenol | 133788-83-7 | 3,5-Difluoro-2-hydroxyaniline | 2-amino-4,6-difluoro-phenol | 4,6-difluoro-2-aminophenol | SCHEMBL104581 | DTXSID90372208 | STHCPCIXAKDNOP-UHFFFAOYSA-N | MFCD01862077 | AKOS009158762 | 2-Chloropyridine-5-aceticacidethylester | PS-8965
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Halophenols
Intermediate Tree Nodes
Fluorophenols
Direct Parent
P-fluorophenols
Alternative Parents
o-Aminophenols O-fluorophenols Aniline and substituted anilines Fluorobenzenes Aryl fluorides Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminophenol - O-aminophenol - 2-fluorophenol - Aniline or substituted anilines - 4-fluorophenol - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-fluorophenols. These are fluorophenols carrying a iodine at the C4 position of 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-amino-4,6-difluorophenol
INCHI
InChI=1S/C6H5F2NO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2
InChIKey
STHCPCIXAKDNOP-UHFFFAOYSA-N
Smiles
C1=C(C=C(C(=C1N)O)F)F
Isomeric SMILES
C1=C(C=C(C(=C1N)O)F)F
WGK Germany
3
PubChem CID
2737653
Molecular Weight
145.11
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
145.110 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
145.034 Da
Monoisotopic Mass
145.034 Da
Topological Polar Surface Area
46.300 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
122.000
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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