Home Boronic acids 3-Chloro-2-cyanophenylboronic acid

3-Chloro-2-cyanophenylboronic acid

CAS No.:
1217500-67-8
Catalog Number:
AG0015R5
Molecular Formula:
C7H5BClNO2
Molecular Weight:
181.3841
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$125
- +
1g
95%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG0015R5
Chemical Name:
3-Chloro-2-cyanophenylboronic acid
CAS Number:
1217500-67-8
Molecular Formula:
C7H5BClNO2
Molecular Weight:
181.3841
MDL Number:
MFCD10696670
IUPAC Name:
(3-chloro-2-cyanophenyl)boronic acid
InChI:
InChI=1S/C7H5BClNO2/c9-7-3-1-2-6(8(11)12)5(7)4-10/h1-3,11-12H
InChI Key:
NVFNOKJQOOUGTR-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)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:
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