Home Boronic acids 3-(4-Cyanophenylmethoxy)phenylboronic acid

3-(4-Cyanophenylmethoxy)phenylboronic acid

CAS No.:
1256355-72-2
Catalog Number:
AG000O51
Molecular Formula:
C14H12BNO3
Molecular Weight:
253.0610
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$438
- +
5g
95%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG000O51
Chemical Name:
3-(4-Cyanophenylmethoxy)phenylboronic acid
CAS Number:
1256355-72-2
Molecular Formula:
C14H12BNO3
Molecular Weight:
253.0610
MDL Number:
MFCD12463473
IUPAC Name:
[3-[(4-cyanophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C14H12BNO3/c16-9-11-4-6-12(7-5-11)10-19-14-3-1-2-13(8-14)15(17)18/h1-8,17-18H,10H2
InChI Key:
NWEBJLANUDYFMY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)COc1cccc(c1)B(O)O
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.091g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
253.064g/mol
Monoisotopic Mass:
253.091g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties