Home Boronic acids 3-Chloro-5-(ethoxycarbonymethoxy)phenylboronic acid, pinacol ester

3-Chloro-5-(ethoxycarbonymethoxy)phenylboronic acid, pinacol ester

CAS No.:
1218789-47-9
Catalog Number:
AG00167K
Molecular Formula:
C16H22BClO5
Molecular Weight:
340.6069
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$313
- +
1g
98%
In Stock USA
United States
$625
- +
Product Description
Catalog Number:
AG00167K
Chemical Name:
3-Chloro-5-(ethoxycarbonymethoxy)phenylboronic acid, pinacol ester
CAS Number:
1218789-47-9
Molecular Formula:
C16H22BClO5
Molecular Weight:
340.6069
MDL Number:
MFCD12546584
IUPAC Name:
ethyl 2-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate
InChI:
InChI=1S/C16H22BClO5/c1-6-20-14(19)10-21-13-8-11(7-12(18)9-13)17-22-15(2,3)16(4,5)23-17/h7-9H,6,10H2,1-5H3
InChI Key:
KDZLXLNAHRVMPT-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1cc(Cl)cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.125g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.607g/mol
Monoisotopic Mass:
340.125g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties