Home Boronic acids 4-(cyanoMethylcarbaMoyl)phenylboronic acid

4-(cyanoMethylcarbaMoyl)phenylboronic acid

CAS No.:
1056636-11-3
Catalog Number:
AG008S1Y
Molecular Formula:
C9H9BN2O3
Molecular Weight:
203.9904
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG008S1Y
Chemical Name:
4-(cyanoMethylcarbaMoyl)phenylboronic acid
CAS Number:
1056636-11-3
Molecular Formula:
C9H9BN2O3
Molecular Weight:
203.9904
MDL Number:
MFCD24566607
IUPAC Name:
[4-(cyanomethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C9H9BN2O3/c11-5-6-12-9(13)7-1-3-8(4-2-7)10(14)15/h1-4,14-15H,6H2,(H,12,13)
InChI Key:
XHRYRSBKDZTAEB-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)NCC#N)O
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.071g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
203.992g/mol
Monoisotopic Mass:
204.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties