Home Boronic acids 2-Chloro-5-cyanobenzene-1,4-diboronic acid pinacol ester

2-Chloro-5-cyanobenzene-1,4-diboronic acid pinacol ester

CAS No.:
863868-45-5
Catalog Number:
AG00IE1G
Molecular Formula:
C19H26B2ClNO4
Molecular Weight:
389.4890
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$250
- +
5g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG00IE1G
Chemical Name:
2-Chloro-5-cyanobenzene-1,4-diboronic acid pinacol ester
CAS Number:
863868-45-5
Molecular Formula:
C19H26B2ClNO4
Molecular Weight:
389.4890
MDL Number:
MFCD22047839
IUPAC Name:
4-chloro-2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C19H26B2ClNO4/c1-16(2)17(3,4)25-20(24-16)13-10-15(22)14(9-12(13)11-23)21-26-18(5,6)19(7,8)27-21/h9-10H,1-8H3
InChI Key:
RDZQPXNNBYHBHR-UHFFFAOYSA-N
SMILES:
N#Cc1cc(c(cc1B1OC(C(O1)(C)C)(C)C)Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
613  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.174g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.49g/mol
Monoisotopic Mass:
389.174g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties