Home > Compound List > Compound details
1256355-30-2 molecular structure
click picture or here to close

(5-fluoro-2-formylphenyl)boronic acid

ChemBase ID: 288054
Molecular Formular: C7H6BFO3
Molecular Mass: 167.9301432
Monoisotopic Mass: 168.03940267
SMILES and InChIs

SMILES:
OB(O)c1c(C=O)ccc(F)c1
Canonical SMILES:
O=Cc1ccc(cc1B(O)O)F
InChI:
InChI=1S/C7H6BFO3/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-4,11-12H
InChIKey:
FLYQNYPIYYNUCW-UHFFFAOYSA-N

Cite this record

CBID:288054 http://www.chembase.cn/molecule-288054.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-fluoro-2-formylphenyl)boronic acid
IUPAC Traditional name
5-fluoro-2-formylphenylboronic acid
Synonyms
(5-Fluoro-2-formylphenyl)boronic acid
CAS Number
1256355-30-2
MDL Number
MFCD09953731
PubChem SID
180673585
PubChem CID
46739727

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD165409 Please log in.
Data Source Data ID
PubChem 46739727 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.197489  H Acceptors
H Donor LogD (pH = 5.5) 1.4539341 
LogD (pH = 7.4) 1.3908699  Log P 1.4548 
Molar Refractivity 37.4039 cm3 Polarizability 15.177689 Å3
Polar Surface Area 57.53 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