Home Boronic acids 4-Cyanomethylphenylboronic acid

4-Cyanomethylphenylboronic acid

CAS No.:
91983-26-5
Catalog Number:
AG006GXP
Molecular Formula:
C8H8BNO2
Molecular Weight:
160.9656
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$47
- +
5g
98%
In Stock USA
United States
$182
- +
10g
98%
In Stock USA
United States
$338
- +
25g
98%
In Stock USA
United States
$625
- +
100g
98%
In Stock USA
United States
$1875
- +
Product Description
Catalog Number:
AG006GXP
Chemical Name:
4-Cyanomethylphenylboronic acid
CAS Number:
91983-26-5
Molecular Formula:
C8H8BNO2
Molecular Weight:
160.9656
MDL Number:
MFCD01632200
IUPAC Name:
[4-(cyanomethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H8BNO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,11-12H,5H2
InChI Key:
YKVMTTIYBSVPEQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CC#N)O
Properties
Complexity:
179  
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:
2  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties