Home Other Building Blocks N-(2-Chloroethyl) 3-boronobenzamide

N-(2-Chloroethyl) 3-boronobenzamide

CAS No.:
874288-12-7
Catalog Number:
AG003BPV
Molecular Formula:
C9H11BClNO3
Molecular Weight:
227.4525
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$93
- +
5g
96%
In Stock USA
United States
$368
- +
Product Description
Catalog Number:
AG003BPV
Chemical Name:
N-(2-Chloroethyl) 3-boronobenzamide
CAS Number:
874288-12-7
Molecular Formula:
C9H11BClNO3
Molecular Weight:
227.4525
MDL Number:
MFCD08436013
IUPAC Name:
[3-(2-chloroethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C9H11BClNO3/c11-4-5-12-9(13)7-2-1-3-8(6-7)10(14)15/h1-3,6,14-15H,4-5H2,(H,12,13)
InChI Key:
OMDXADHEWANBAK-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)c1cccc(c1)B(O)O
Properties
Complexity:
216  
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:
3  
Isotope Atom Count:
0
Molecular Weight:
227.451g/mol
Monoisotopic Mass:
227.052g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties