Home Halogens Methyl 3-borono-4-chlorobenzoate

Methyl 3-borono-4-chlorobenzoate

CAS No.:
913835-92-4
Catalog Number:
AG00GSYI
Molecular Formula:
C8H8BClO4
Molecular Weight:
214.4107
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$123
- +
5g
96%
In Stock USA
United States
$423
- +
Product Description
Catalog Number:
AG00GSYI
Chemical Name:
Methyl 3-borono-4-chlorobenzoate
CAS Number:
913835-92-4
Molecular Formula:
C8H8BClO4
Molecular Weight:
214.4107
MDL Number:
MFCD08689528
IUPAC Name:
(2-chloro-5-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C8H8BClO4/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,12-13H,1H3
InChI Key:
LZMDHZSRUQKDFI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)B(O)O)Cl
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
214.408g/mol
Monoisotopic Mass:
214.02g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties