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480424-61-1 molecular structure
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(9H-fluoren-2-yl)boronic acid

ChemBase ID: 143033
Molecular Formular: C13H11BO2
Molecular Mass: 210.03624
Monoisotopic Mass: 210.08520999
SMILES and InChIs

SMILES:
B(c1ccc2c(c1)Cc1c2cccc1)(O)O
Canonical SMILES:
OB(c1ccc2c(c1)Cc1c2cccc1)O
InChI:
InChI=1S/C13H11BO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,15-16H,7H2
InChIKey:
OHGJAUSHXQCSQX-UHFFFAOYSA-N

Cite this record

CBID:143033 http://www.chembase.cn/molecule-143033.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(9H-fluoren-2-yl)boronic acid
IUPAC Traditional name
9H-fluoren-2-ylboronic acid
Synonyms
9H-Fluoren-2-yl-boronic acid
Fluorene-2-boronic acid
FLUORENE-2-BORONIC ACID
芴-2-硼酸
CAS Number
480424-61-1
MDL Number
MFCD05664106
PubChem SID
162237257
PubChem CID
21988878

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21988878 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.75935  H Acceptors
H Donor LogD (pH = 5.5) 3.3580623 
LogD (pH = 7.4) 3.3398166  Log P 3.3583 
Molar Refractivity 59.4189 cm3 Polarizability 25.59091 Å3
Polar Surface Area 40.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
125-129 °C expand Show data source
MSDS Link
Download expand Show data source
Purity
98% expand Show data source
Linear Formula
C13H9B(OH)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 709905 external link
General description
可能含有不定量的酸酐
包装
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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