Home Boronic acids 4-Chloro-3-(cyclopropylaminocarbonyl)phenylboronic acid pinacol ester

4-Chloro-3-(cyclopropylaminocarbonyl)phenylboronic acid pinacol ester

CAS No.:
1621438-71-8
Catalog Number:
AG00HYQ3
Molecular Formula:
C16H21BClNO3
Molecular Weight:
321.6068
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00HYQ3
Chemical Name:
4-Chloro-3-(cyclopropylaminocarbonyl)phenylboronic acid pinacol ester
CAS Number:
1621438-71-8
Molecular Formula:
C16H21BClNO3
Molecular Weight:
321.6068
MDL Number:
MFCD24039417
IUPAC Name:
2-chloro-N-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C16H21BClNO3/c1-15(2)16(3,4)22-17(21-15)10-5-8-13(18)12(9-10)14(20)19-11-6-7-11/h5,8-9,11H,6-7H2,1-4H3,(H,19,20)
InChI Key:
JYYZOEZRCJOJAM-UHFFFAOYSA-N
SMILES:
O=C(c1cc(ccc1Cl)B1OC(C(O1)(C)C)(C)C)NC1CC1
Properties
Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.13g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
321.608g/mol
Monoisotopic Mass:
321.13g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties