Home > Compound List > Compound details
133788-81-5 molecular structure
click picture or here to close

2-amino-4-fluoro-6-methylphenol

ChemBase ID: 294855
Molecular Formular: C7H8FNO
Molecular Mass: 141.1429232
Monoisotopic Mass: 141.0589921
SMILES and InChIs

SMILES:
Cc1cc(F)cc(N)c1O
Canonical SMILES:
Fc1cc(C)c(c(c1)N)O
InChI:
InChI=1S/C7H8FNO/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,9H2,1H3
InChIKey:
XCBLYMCBIHZTTH-UHFFFAOYSA-N

Cite this record

CBID:294855 http://www.chembase.cn/molecule-294855.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-4-fluoro-6-methylphenol
IUPAC Traditional name
2-amino-4-fluoro-6-methylphenol
Synonyms
2-Amino-4-fluoro-6-methylphenol
CAS Number
133788-81-5
MDL Number
MFCD19214250
PubChem SID
180680386
PubChem CID
15675952

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD228690 Please log in.
Data Source Data ID
PubChem 15675952 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.386966  H Acceptors
H Donor LogD (pH = 5.5) 1.4920241 
LogD (pH = 7.4) 1.4963654  Log P 1.4968779 
Molar Refractivity 37.9969 cm3 Polarizability 13.53985 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle