Home Boronic acids 3-Bromo-2-cyanophenylboronic acid

3-Bromo-2-cyanophenylboronic acid

CAS No.:
1032231-32-5
Catalog Number:
AG007XX4
Molecular Formula:
C7H5BBrNO2
Molecular Weight:
225.8351
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$75
- +
5g
96%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG007XX4
Chemical Name:
3-Bromo-2-cyanophenylboronic acid
CAS Number:
1032231-32-5
Molecular Formula:
C7H5BBrNO2
Molecular Weight:
225.8351
MDL Number:
MFCD10696672
IUPAC Name:
(3-bromo-2-cyanophenyl)boronic acid
InChI:
InChI=1S/C7H5BBrNO2/c9-7-3-1-2-6(8(11)12)5(7)4-10/h1-3,11-12H
InChI Key:
LHGIIQFOQAPPQA-UHFFFAOYSA-N
SMILES:
N#Cc1c(Br)cccc1B(O)O
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.96g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.836g/mol
Monoisotopic Mass:
224.96g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties