Home Boronic acids 4-Chloromethylphenylboronic acid

4-Chloromethylphenylboronic acid

CAS No.:
164413-77-8
Catalog Number:
AG001UVG
Molecular Formula:
C7H8BClO2
Molecular Weight:
170.4012
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$75
- +
5g
96%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG001UVG
Chemical Name:
4-Chloromethylphenylboronic acid
CAS Number:
164413-77-8
Molecular Formula:
C7H8BClO2
Molecular Weight:
170.4012
MDL Number:
MFCD07363850
IUPAC Name:
[4-(chloromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H8BClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5H2
InChI Key:
AAMFQEQPAXVUJU-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)B(O)O
Properties
Complexity:
113  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.031g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.399g/mol
Monoisotopic Mass:
170.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties