Home > Compound List > Compound details
748805-85-8 molecular structure
click picture or here to close

(2-amino-5-fluorophenyl)methanol

ChemBase ID: 290487
Molecular Formular: C7H8FNO
Molecular Mass: 141.1429232
Monoisotopic Mass: 141.0589921
SMILES and InChIs

SMILES:
OCc1cc(F)ccc1N
Canonical SMILES:
OCc1cc(F)ccc1N
InChI:
InChI=1S/C7H8FNO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4,9H2
InChIKey:
ZRAZJGBWNZUSGQ-UHFFFAOYSA-N

Cite this record

CBID:290487 http://www.chembase.cn/molecule-290487.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-amino-5-fluorophenyl)methanol
IUPAC Traditional name
(2-amino-5-fluorophenyl)methanol
Synonyms
(2-Amino-5-fluorophenyl)methanol
CAS Number
748805-85-8
PubChem SID
180676018
PubChem CID
21925621

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229522 Please log in.
Data Source Data ID
PubChem 21925621 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.803778  H Acceptors
H Donor LogD (pH = 5.5) 0.5186395 
LogD (pH = 7.4) 0.519659  Log P 0.51967204 
Molar Refractivity 37.7907 cm3 Polarizability 13.61939 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