Home Boronic acids 2-Cyano-3-methoxyphenylboronic acid

2-Cyano-3-methoxyphenylboronic acid

CAS No.:
1164100-84-8
Catalog Number:
AG000CET
Molecular Formula:
C8H8BNO3
Molecular Weight:
176.9650
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$325
- +
1g
95%
In Stock USA
United States
$813
- +
Product Description
Catalog Number:
AG000CET
Chemical Name:
2-Cyano-3-methoxyphenylboronic acid
CAS Number:
1164100-84-8
Molecular Formula:
C8H8BNO3
Molecular Weight:
176.9650
MDL Number:
MFCD10696671
IUPAC Name:
(2-cyano-3-methoxyphenyl)boronic acid
InChI:
InChI=1S/C8H8BNO3/c1-13-8-4-2-3-7(9(11)12)6(8)5-10/h2-4,11-12H,1H3
InChI Key:
GRHINHWGIHWEPE-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C#N)B(O)O
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.06g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.966g/mol
Monoisotopic Mass:
177.06g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties