Home Boronic Acids 871126-26-0
871126-26-0,MFCD07784393
Catalog No.:AA003HW4
871126-26-0 | 3-((4'-(2-Methoxyethyl)phenoxy)methyl)phenylboronic acid
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1g
95%
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$55.00   $38.00
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5g
95%
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$229.00   $160.00
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Technical Information
Catalog Number:
AA003HW4
Chemical Name:
3-((4'-(2-Methoxyethyl)phenoxy)methyl)phenylboronic acid
CAS Number:
871126-26-0
Molecular Formula:
C16H19BO4
Molecular Weight:
286.1307
MDL Number:
MFCD07784393
IUPAC Name:
[3-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]boronic acid
InChI:
InChI=1S/C16H19BO4/c1-20-10-9-13-5-7-16(8-6-13)21-12-14-3-2-4-15(11-14)17(18)19/h2-8,11,18-19H,9-10,12H2,1H3
InChI Key:
RABCYEGFKLWONK-UHFFFAOYSA-N
SMILES:
COCCc1ccc(cc1)OCc1cccc(c1)B(O)O
Properties
Computed Properties
 
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.138g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
286.134g/mol
Monoisotopic Mass:
286.138g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
871126-26-0 
(3-((4-(2-Methoxyethyl)phenoxy)methyl)phenyl)boronic acid 
ANW-38518 
MFCD07784393 
AKOS010795449 
IMED824066441 
ZINC169877328 
RTR-027180 
OR361360 
AX8280869 
X2594 
A-9105 
3-((4'-(2-Methoxyethyl)phenoxy)methyl)phenylboronic acid 
I04-2376 
3-[(4 inverted exclamation marka-(2-Methoxyethyl)phenoxy)methyl]phenylboronic acid 
C16H19BO4 
3-[(4'-(2-Methoxyethyl)phenoxy)methyl]phenylboronic acid 
3-((4-(2-Methoxyethyl)phenoxy)methyl)phenylboronic acid 
(3-{[4-(2-Methoxyethyl)phenoxy]methyl}phenyl)boronic acid 
SCHEMBL9893590 
CHEMBL4095509 
CTK8B2520 
DTXSID90584723 
Literature
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