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Home Boronic acids 3-[(2'-Isopropyl-5'-methylphenoxy)methyl]phenylboronic acid

3-[(2'-Isopropyl-5'-methylphenoxy)methyl]phenylboronic acid

CAS No.:
1072951-74-6
Catalog Number:
AG003IRC
Molecular Formula:
C17H21BO3
Molecular Weight:
284.1578
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$45
- +
5g
95%
In Stock USA
United States
$180
- +
Product Description
Catalog Number:
AG003IRC
Chemical Name:
3-[(2'-Isopropyl-5'-methylphenoxy)methyl]phenylboronic acid
CAS Number:
1072951-74-6
Molecular Formula:
C17H21BO3
Molecular Weight:
284.1578
MDL Number:
MFCD22200781
IUPAC Name:
[3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronic acid
InChI:
InChI=1S/C17H21BO3/c1-12(2)16-8-7-13(3)9-17(16)21-11-14-5-4-6-15(10-14)18(19)20/h4-10,12,19-20H,11H2,1-3H3
InChI Key:
AABBYGNTCONFJV-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)OCc1cccc(c1)B(O)O)C(C)C
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.158g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
284.162g/mol
Monoisotopic Mass:
284.158g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties