Home Boronic acids 3-Acetamido-4-(methoxycarbonyl)phenylboronic acid, pinacol ester

3-Acetamido-4-(methoxycarbonyl)phenylboronic acid, pinacol ester

CAS No.:
760989-61-5
Catalog Number:
AG00G9LY
Molecular Formula:
C16H22BNO5
Molecular Weight:
319.1606
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$250
- +
5g
97%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG00G9LY
Chemical Name:
3-Acetamido-4-(methoxycarbonyl)phenylboronic acid, pinacol ester
CAS Number:
760989-61-5
Molecular Formula:
C16H22BNO5
Molecular Weight:
319.1606
MDL Number:
MFCD22494597
IUPAC Name:
methyl 2-acetamido-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C16H22BNO5/c1-10(19)18-13-9-11(7-8-12(13)14(20)21-6)17-22-15(2,3)16(4,5)23-17/h7-9H,1-6H3,(H,18,19)
InChI Key:
WDCXANZEXWZEQK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1NC(=O)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
463  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.159g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
319.164g/mol
Monoisotopic Mass:
319.159g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties