Home Boronic Acids 1072951-91-7
1072951-91-7,MFCD09265140
Catalog No.:AA003ION
1072951-91-7 | 3-[(4-Chloro-3-methylphenoxy)methyl]phenylboronic acid
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1g
95%
in stock  
$36.00   $25.00
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5g
95%
in stock  
$143.00   $100.00
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Technical Information
Catalog Number:
AA003ION
Chemical Name:
3-[(4-Chloro-3-methylphenoxy)methyl]phenylboronic acid
CAS Number:
1072951-91-7
Molecular Formula:
C14H14BClO3
Molecular Weight:
276.5232
MDL Number:
MFCD09265140
IUPAC Name:
[3-[(4-chloro-3-methylphenoxy)methyl]phenyl]boronic acid
InChI:
InChI=1S/C14H14BClO3/c1-10-7-13(5-6-14(10)16)19-9-11-3-2-4-12(8-11)15(17)18/h2-8,17-18H,9H2,1H3
InChI Key:
MLTCJWUQGYLPLF-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)COc1ccc(c(c1)C)Cl)O
Properties
Computed Properties
 
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.072g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
276.523g/mol
Monoisotopic Mass:
276.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
3-[(4-Chloro-3-methylphenoxy)methyl]phenylboronic acid 
1072951-91-7 
RTR-001649 
OR360965 
BC4303624 
TR-001649 
Z7092 
K-0568 
I04-2599 
{3-[(4-Chloro-3-methylphenoxy)methyl]phenyl}boronic acid 
C14H14BClO3 
ACMC-2098ty 
SCHEMBL9893556 
CTK4A5310 
DTXSID50584901 
ANW-15716 
MFCD09265140 
AKOS010794911 
ZINC169903712 
Literature
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