Home Boronic acids 3-(Butylaminocarbonyl)phenylboronic acid

3-(Butylaminocarbonyl)phenylboronic acid

CAS No.:
397843-70-8
Catalog Number:
AG00C0CG
Molecular Formula:
C11H16BNO3
Molecular Weight:
221.0606
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00C0CG
Chemical Name:
3-(Butylaminocarbonyl)phenylboronic acid
CAS Number:
397843-70-8
Molecular Formula:
C11H16BNO3
Molecular Weight:
221.0606
MDL Number:
MFCD04115691
IUPAC Name:
[3-(butylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C11H16BNO3/c1-2-3-7-13-11(14)9-5-4-6-10(8-9)12(15)16/h4-6,8,15-16H,2-3,7H2,1H3,(H,13,14)
InChI Key:
UMTGJEHDHSYNMS-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1cccc(c1)B(O)O
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.122g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
221.063g/mol
Monoisotopic Mass:
221.122g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties