Home > Compound List > Compound details
1218790-57-8 molecular structure
click picture or here to close

(2-fluoro-3-phenylphenyl)boronic acid

ChemBase ID: 291170
Molecular Formular: C12H10BFO2
Molecular Mass: 216.0160032
Monoisotopic Mass: 216.07578818
SMILES and InChIs

SMILES:
Fc1c(B(O)O)cccc1c1ccccc1
Canonical SMILES:
OB(c1cccc(c1F)c1ccccc1)O
InChI:
InChI=1S/C12H10BFO2/c14-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(15)16/h1-8,15-16H
InChIKey:
VLUZUMHBJXPCRW-UHFFFAOYSA-N

Cite this record

CBID:291170 http://www.chembase.cn/molecule-291170.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-fluoro-3-phenylphenyl)boronic acid
IUPAC Traditional name
2-fluoro-3-phenylphenylboronic acid
Synonyms
(2-Fluoro-[1,1'-biphenyl]-3-yl)boronic acid
CAS Number
1218790-57-8
MDL Number
MFCD15143460
PubChem SID
180676701
PubChem CID
53216360

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD230855 Please log in.
Data Source Data ID
PubChem 53216360 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.169236  H Acceptors
H Donor LogD (pH = 5.5) 3.462776 
LogD (pH = 7.4) 3.3957922  Log P 3.4637 
Molar Refractivity 55.9561 cm3 Polarizability 24.140484 Å3
Polar Surface Area 40.46 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