Home Boronic acids 3-((Phenylamino)methyl)phenylboronic acid

3-((Phenylamino)methyl)phenylboronic acid

CAS No.:
690957-43-8
Catalog Number:
AG005YE3
Molecular Formula:
C13H14BNO2
Molecular Weight:
227.0668
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$100
- +
5g
97%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG005YE3
Chemical Name:
3-((Phenylamino)methyl)phenylboronic acid
CAS Number:
690957-43-8
Molecular Formula:
C13H14BNO2
Molecular Weight:
227.0668
MDL Number:
MFCD10699626
IUPAC Name:
[3-(anilinomethyl)phenyl]boronic acid
InChI:
InChI=1S/C13H14BNO2/c16-14(17)12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9,15-17H,10H2
InChI Key:
YUCBQVDRMDKWEH-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)CNc1ccccc1)O
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.112g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
227.07g/mol
Monoisotopic Mass:
227.112g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties