Home > Compound List > Compound details
945837-57-0 molecular structure
click picture or here to close

(4-cyclopentylphenyl)boronic acid

ChemBase ID: 91467
Molecular Formular: C11H15BO2
Molecular Mass: 190.0466
Monoisotopic Mass: 190.11651012
SMILES and InChIs

SMILES:
B(c1ccc(cc1)C1CCCC1)(O)O
Canonical SMILES:
OB(c1ccc(cc1)C1CCCC1)O
InChI:
InChI=1S/C11H15BO2/c13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,13-14H,1-4H2
InChIKey:
CXQWADWZIYSSDJ-UHFFFAOYSA-N

Cite this record

CBID:91467 http://www.chembase.cn/molecule-91467.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-cyclopentylphenyl)boronic acid
IUPAC Traditional name
4-cyclopentylphenylboronic acid
Synonyms
(4-Boronophenyl)cyclopentane
4-Cyclopentylbenzeneboronic acid
4-CYCLOPENTYLPHENYLBORONIC ACID
(4-Cyclopentylphenyl)boronic acid
CAS Number
945837-57-0
MDL Number
MFCD04039014
PubChem SID
162078166
PubChem CID
4197998

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.837248  H Acceptors
H Donor LogD (pH = 5.5) 3.1222014 
LogD (pH = 7.4) 3.106898  Log P 3.1224 
Molar Refractivity 52.1941 cm3 Polarizability 21.940086 Å3
Polar Surface Area 40.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Keep Cold/Store under Argon expand Show data source
Purity
95+% expand Show data source
98% 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