Home Boronic acids 3-Cyano-5-methylphenylboronic acid

3-Cyano-5-methylphenylboronic acid

CAS No.:
1451391-42-6
Catalog Number:
AG00HXDH
Molecular Formula:
C8H8BNO2
Molecular Weight:
160.9656
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$225
- +
1g
95%
In Stock USA
United States
$563
- +
5g
95%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00HXDH
Chemical Name:
3-Cyano-5-methylphenylboronic acid
CAS Number:
1451391-42-6
Molecular Formula:
C8H8BNO2
Molecular Weight:
160.9656
MDL Number:
MFCD18394418
IUPAC Name:
(3-cyano-5-methylphenyl)boronic acid
InChI:
InChI=1S/C8H8BNO2/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-4,11-12H,1H3
InChI Key:
HOWMWRQDWIZJNA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)cc(c1)B(O)O
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.065g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
160.967g/mol
Monoisotopic Mass:
161.065g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties