Home Boronic acids 4-Chloro-3-(dimethylaminocarbonyl)phenylboronic acid

4-Chloro-3-(dimethylaminocarbonyl)phenylboronic acid

CAS No.:
871332-76-2
Catalog Number:
AG004OT0
Molecular Formula:
C9H11BClNO3
Molecular Weight:
227.4525
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$179
- +
5g
98%
In Stock USA
United States
$535
- +
Product Description
Catalog Number:
AG004OT0
Chemical Name:
4-Chloro-3-(dimethylaminocarbonyl)phenylboronic acid
CAS Number:
871332-76-2
Molecular Formula:
C9H11BClNO3
Molecular Weight:
227.4525
MDL Number:
MFCD07783868
IUPAC Name:
[4-chloro-3-(dimethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C9H11BClNO3/c1-12(2)9(13)7-5-6(10(14)15)3-4-8(7)11/h3-5,14-15H,1-2H3
InChI Key:
ZTPXXLBYJKNIDH-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1cc(ccc1Cl)B(O)O)C
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.052g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.451g/mol
Monoisotopic Mass:
227.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties