Home Boronic acids 4-Chloro-2-cyanophenylboronic acid

4-Chloro-2-cyanophenylboronic acid

CAS No.:
819070-53-6
Catalog Number:
AG00566R
Molecular Formula:
C7H5BClNO2
Molecular Weight:
181.3841
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$282
- +
1g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG00566R
Chemical Name:
4-Chloro-2-cyanophenylboronic acid
CAS Number:
819070-53-6
Molecular Formula:
C7H5BClNO2
Molecular Weight:
181.3841
MDL Number:
MFCD10696656
IUPAC Name:
(4-chloro-2-cyanophenyl)boronic acid
InChI:
InChI=1S/C7H5BClNO2/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3,11-12H
InChI Key:
SWBTXCSSSBWRQF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)ccc1B(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:
181.01g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
181.382g/mol
Monoisotopic Mass:
181.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties