Home Boronic acids 3-Acetamidomethylphenylboronic acid

3-Acetamidomethylphenylboronic acid

CAS No.:
850568-42-2
Catalog Number:
AG004Z7M
Molecular Formula:
C9H12BNO3
Molecular Weight:
193.0075
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$178
- +
5g
97%
In Stock USA
United States
$663
- +
Product Description
Catalog Number:
AG004Z7M
Chemical Name:
3-Acetamidomethylphenylboronic acid
CAS Number:
850568-42-2
Molecular Formula:
C9H12BNO3
Molecular Weight:
193.0075
MDL Number:
MFCD06659819
IUPAC Name:
[3-(acetamidomethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H12BNO3/c1-7(12)11-6-8-3-2-4-9(5-8)10(13)14/h2-5,13-14H,6H2,1H3,(H,11,12)
InChI Key:
IXRGNMIMGAJHEG-UHFFFAOYSA-N
SMILES:
CC(=O)NCc1cccc(c1)B(O)O
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.091g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
193.009g/mol
Monoisotopic Mass:
193.091g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties