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Home Boronic acids 3-(2-Morpholinoethylcarbamoyl)phenylboronic acid, HCl

3-(2-Morpholinoethylcarbamoyl)phenylboronic acid, HCl

CAS No.:
957060-89-8
Catalog Number:
AG003A4W
Molecular Formula:
C13H20BClN2O4
Molecular Weight:
314.5729
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$182
- +
5g
98%
In Stock USA
United States
$782
- +
Product Description
Catalog Number:
AG003A4W
Chemical Name:
3-(2-Morpholinoethylcarbamoyl)phenylboronic acid, HCl
CAS Number:
957060-89-8
Molecular Formula:
C13H20BClN2O4
Molecular Weight:
314.5729
MDL Number:
MFCD09027255
IUPAC Name:
[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C13H19BN2O4.ClH/c17-13(11-2-1-3-12(10-11)14(18)19)15-4-5-16-6-8-20-9-7-16;/h1-3,10,18-19H,4-9H2,(H,15,17);1H
InChI Key:
QBUJRGQOXYFCFK-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B(O)O)NCCN1CCOCC1.Cl
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.12g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
314.573g/mol
Monoisotopic Mass:
314.12g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties