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133788-83-7 molecular structure
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2-amino-4,6-difluorophenol

ChemBase ID: 100668
Molecular Formular: C6H5F2NO
Molecular Mass: 145.1068064
Monoisotopic Mass: 145.03392023
SMILES and InChIs

SMILES:
Oc1c(cc(cc1F)F)N
Canonical SMILES:
Fc1cc(N)c(c(c1)F)O
InChI:
InChI=1S/C6H5F2NO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,9H2
InChIKey:
STHCPCIXAKDNOP-UHFFFAOYSA-N

Cite this record

CBID:100668 http://www.chembase.cn/molecule-100668.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-4,6-difluorophenol
IUPAC Traditional name
2-amino-4,6-difluorophenol
Synonyms
3,5-Difluoro-2-hydroxyaniline
2-Amino-4,6-difluorophenol 95+%
CAS Number
133788-83-7
MDL Number
MFCD01862077
PubChem SID
162086889
PubChem CID
2737653

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2737653 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.046719  H Acceptors
H Donor LogD (pH = 5.5) 1.1257778 
LogD (pH = 7.4) 1.1165271  Log P 1.1261584 
Molar Refractivity 33.1721 cm3 Polarizability 11.621855 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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