Home Boronic acids 3-Chloro-5-(1-cyano-1-cyclopropyl)phenylboronic acid, pinacol ester

3-Chloro-5-(1-cyano-1-cyclopropyl)phenylboronic acid, pinacol ester

CAS No.:
1256360-48-1
Catalog Number:
AG000O8J
Molecular Formula:
C16H19BClNO2
Molecular Weight:
303.5916
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$275
- +
1g
96%
In Stock USA
United States
$575
- +
Product Description
Catalog Number:
AG000O8J
Chemical Name:
3-Chloro-5-(1-cyano-1-cyclopropyl)phenylboronic acid, pinacol ester
CAS Number:
1256360-48-1
Molecular Formula:
C16H19BClNO2
Molecular Weight:
303.5916
MDL Number:
MFCD18087729
IUPAC Name:
1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carbonitrile
InChI:
InChI=1S/C16H19BClNO2/c1-14(2)15(3,4)21-17(20-14)12-7-11(8-13(18)9-12)16(10-19)5-6-16/h7-9H,5-6H2,1-4H3
InChI Key:
HIBAVNIZBCSVPA-UHFFFAOYSA-N
SMILES:
N#CC1(CC1)c1cc(cc(c1)Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
464  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.12g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.593g/mol
Monoisotopic Mass:
303.12g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties