Home Boronic acids [2-Amino-4-(ethoxycarbonyl)phenyl]boronic acid

[2-Amino-4-(ethoxycarbonyl)phenyl]boronic acid

CAS No.:
957103-69-4
Catalog Number:
AG00IJDT
Molecular Formula:
C9H12BNO4
Molecular Weight:
209.0069
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$438
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Product Description
Catalog Number:
AG00IJDT
Chemical Name:
[2-Amino-4-(ethoxycarbonyl)phenyl]boronic acid
CAS Number:
957103-69-4
Molecular Formula:
C9H12BNO4
Molecular Weight:
209.0069
MDL Number:
MFCD22192388
IUPAC Name:
(2-amino-4-ethoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C9H12BNO4/c1-2-15-9(12)6-3-4-7(10(13)14)8(11)5-6/h3-5,13-14H,2,11H2,1H3
InChI Key:
JMXVNLRIPXPJRG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)N)B(O)O
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.086g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
209.008g/mol
Monoisotopic Mass:
209.086g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties