Home Boronic acids 2-Amino-4-ethoxycarbonylphenylboronic acid, HCl

2-Amino-4-ethoxycarbonylphenylboronic acid, HCl

CAS No.:
957034-59-2
Catalog Number:
AG00IJD1
Molecular Formula:
C9H13BClNO4
Molecular Weight:
245.4678
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$200
- +
5g
98%
In Stock USA
United States
$775
- +
Product Description
Catalog Number:
AG00IJD1
Chemical Name:
2-Amino-4-ethoxycarbonylphenylboronic acid, HCl
CAS Number:
957034-59-2
Molecular Formula:
C9H13BClNO4
Molecular Weight:
245.4678
MDL Number:
MFCD09475809
IUPAC Name:
(2-amino-4-ethoxycarbonylphenyl)boronic acid;hydrochloride
InChI:
InChI=1S/C9H12BNO4.ClH/c1-2-15-9(12)6-3-4-7(10(13)14)8(11)5-6;/h3-5,13-14H,2,11H2,1H3;1H
InChI Key:
YPJSJDLFBDCPQA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)N)B(O)O.Cl
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.063g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
245.466g/mol
Monoisotopic Mass:
245.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties