sales@angenesci.com
Login | Register
logo
Structures Search
Home Boronic acids 3-Chloro-4-(N-benzylcarbamoyl)phenylboronic acid

3-Chloro-4-(N-benzylcarbamoyl)phenylboronic acid

CAS No.:
850589-42-3
Catalog Number:
AG008GT0
Molecular Formula:
C14H13BClNO3
Molecular Weight:
289.5219
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG008GT0
Chemical Name:
3-Chloro-4-(N-benzylcarbamoyl)phenylboronic acid
CAS Number:
850589-42-3
Molecular Formula:
C14H13BClNO3
Molecular Weight:
289.5219
MDL Number:
MFCD07363769
IUPAC Name:
[4-(benzylcarbamoyl)-3-chlorophenyl]boronic acid
InChI:
InChI=1S/C14H13BClNO3/c16-13-8-11(15(19)20)6-7-12(13)14(18)17-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,17,18)
InChI Key:
KPMFJSKLOSUPQR-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1Cl)B(O)O)NCc1ccccc1
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.068g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
289.522g/mol
Monoisotopic Mass:
289.068g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties