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

2-Amino-4-carboxylphenylboronic acid , HCl

CAS No.:
850568-60-4
Catalog Number:
AG004Z7K
Molecular Formula:
C7H9BClNO4
Molecular Weight:
217.4147
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$188
- +
1g
96%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG004Z7K
Chemical Name:
2-Amino-4-carboxylphenylboronic acid , HCl
CAS Number:
850568-60-4
Molecular Formula:
C7H9BClNO4
Molecular Weight:
217.4147
MDL Number:
MFCD06656012
IUPAC Name:
3-amino-4-boronobenzoic acid;hydrochloride
InChI:
InChI=1S/C7H8BNO4.ClH/c9-6-3-4(7(10)11)1-2-5(6)8(12)13;/h1-3,12-13H,9H2,(H,10,11);1H
InChI Key:
ZRENJNMVSRNRES-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)N)B(O)O.Cl
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.031g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
217.412g/mol
Monoisotopic Mass:
217.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties