Home Boronic acids 3-Chloro-4-(N-methylcarbamoyl)phenylboronic acid

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

CAS No.:
850589-39-8
Catalog Number:
AG004YHR
Molecular Formula:
C8H9BClNO3
Molecular Weight:
213.4260
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$158
- +
5g
97%
In Stock USA
United States
$630
- +
Product Description
Catalog Number:
AG004YHR
Chemical Name:
3-Chloro-4-(N-methylcarbamoyl)phenylboronic acid
CAS Number:
850589-39-8
Molecular Formula:
C8H9BClNO3
Molecular Weight:
213.4260
MDL Number:
MFCD07363766
IUPAC Name:
[3-chloro-4-(methylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C8H9BClNO3/c1-11-8(12)6-3-2-5(9(13)14)4-7(6)10/h2-4,13-14H,1H3,(H,11,12)
InChI Key:
UDPDTEGKPHZNES-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccc(cc1Cl)B(O)O
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.036g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
213.424g/mol
Monoisotopic Mass:
213.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties