Home Boronic acids 4-(2-Bromophenylcarbamoyl)phenylboronic acid

4-(2-Bromophenylcarbamoyl)phenylboronic acid

CAS No.:
874288-01-4
Catalog Number:
AG004J0C
Molecular Formula:
C13H11BBrNO3
Molecular Weight:
319.9463
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$88
- +
5g
95%
In Stock USA
United States
$275
- +
25g
95%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG004J0C
Chemical Name:
4-(2-Bromophenylcarbamoyl)phenylboronic acid
CAS Number:
874288-01-4
Molecular Formula:
C13H11BBrNO3
Molecular Weight:
319.9463
MDL Number:
MFCD09027202
IUPAC Name:
[4-[(2-bromophenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C13H11BBrNO3/c15-11-3-1-2-4-12(11)16-13(17)9-5-7-10(8-6-9)14(18)19/h1-8,18-19H,(H,16,17)
InChI Key:
COKKVGHDIYNFCQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B(O)O)Nc1ccccc1Br
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.002g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
319.949g/mol
Monoisotopic Mass:
319.002g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties